fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide

C35H50F9N15O2 — CID 143872863

IUPACfluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
SMILESCC(C)C=O.FC(F)(F)c1ccc(N2CCNCC2)nc1.FC(F)F.NC(=O)c1c[nH]c(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.NN.[H]N=C(N)N
InChIInChI=1S/C19H20F3N7O.C10H12F3N3.C4H8O.CHF3.CH5N3.H4N2/c20-19(21,22)14-1-2-16(25-10-14)29-5-3-28(4-6-29)11-13-9-26-27-17(13)15-7-12(8-24-15)18(23)30;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;1-4(2)3-5;2*2-1(3)4;1-2/h1-2,7-10,24H,3-6,11H2,(H2,23,30)(H,26,27);1-2,7,14H,3-6H2;3-4H,1-2H3;1H;(H5,2,3,4);1-2H2
InChIKeyZNOCSUUQFLRZSP-UHFFFAOYSA-N
MW883.87 g/mol
LogP3.43
Rot. Bonds7

About fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide

fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide (PubChem CID 143872863) has the molecular formula C35H50F9N15O2 and a molecular weight of 883.87 g/mol. Its IUPAC name is fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Namefluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
PubChem CID143872863
Molecular FormulaC35H50F9N15O2
Molecular Weight883.87 g/mol
Exact Mass883.41
IUPAC Namefluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
SMILESCC(C)C=O.FC(F)(F)c1ccc(N2CCNCC2)nc1.FC(F)F.NC(=O)c1c[nH]c(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.NN.[H]N=C(N)N
InChIInChI=1S/C19H20F3N7O.C10H12F3N3.C4H8O.CHF3.CH5N3.H4N2/c20-19(21,22)14-1-2-16(25-10-14)29-5-3-28(4-6-29)11-13-9-26-27-17(13)15-7-12(8-24-15)18(23)30;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;1-4(2)3-5;2*2-1(3)4;1-2/h1-2,7-10,24H,3-6,11H2,(H2,23,30)(H,26,27);1-2,7,14H,3-6H2;3-4H,1-2H3;1H;(H5,2,3,4);1-2H2
InChIKeyZNOCSUUQFLRZSP-UHFFFAOYSA-N
XLogP3.43
TPSA280.09 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.87
LogP ≤ 53.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

1-[5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrol-3-yl]ethanone
CID 135985543
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135915152
4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]piperidine-1-carbaldehyde
CID 143872831
4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]piperazine-2-carbaldehyde
CID 174585936
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282
1-(3,4-dimethoxyphenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione
CID 17459527
1-[(4-bromo-2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 55354194

Frequently Asked Questions

What is the IUPAC name of fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide (CID 143872863) is fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide is CC(C)C=O.FC(F)(F)c1ccc(N2CCNCC2)nc1.FC(F)F.NC(=O)c1c[nH]c(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.NN.[H]N=C(N)N.
What is the InChIKey of fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is ZNOCSUUQFLRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O.C10H12F3N3.C4H8O.CHF3.CH5N3.H4N2/c20-19(21,22)14-1-2-16(25-10-14)29-5-3-28(4-6-29)11-13-9-26-27-17(13)15-7-12(8-24-15)18(23)30;11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16;1-4(2)3-5;2*2-1(3)4;1-2/h1-2,7-10,24H,3-6,11H2,(H2,23,30)(H,26,27);1-2,7,14H,3-6H2;3-4H,1-2H3;1H;(H5,2,3,4);1-2H2.
What are the key properties of fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 883.87 g/mol, XLogP of 3.43, 7 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 143872863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).