N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide

C25H29N5O2 — CID 51998908

IUPACN-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-3-24(31)26-23-17-22(27-30(23)21-7-5-4-6-8-21)25(32)29-15-13-28(14-16-29)18-20-11-9-19(2)10-12-20/h4-12,17H,3,13-16,18H2,1-2H3,(H,26,31)
InChIKeyJAGRBWDRDJMSLW-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.49
Rot. Bonds6

About N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide

N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide (PubChem CID 51998908) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
PubChem CID51998908
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-3-24(31)26-23-17-22(27-30(23)21-7-5-4-6-8-21)25(32)29-15-13-28(14-16-29)18-20-11-9-19(2)10-12-20/h4-12,17H,3,13-16,18H2,1-2H3,(H,26,31)
InChIKeyJAGRBWDRDJMSLW-UHFFFAOYSA-N
XLogP3.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998912
N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998715
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998716
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
ethyl 4-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 27994543
N-naphthalen-1-yl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998761
N-(3,5-dimethyl-1,2-thiazol-4-yl)-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998925
(4-benzylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42880815
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 19297129
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
CID 51347159
2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
CID 51998439

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
The IUPAC name of N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide (CID 51998908) is N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide.
What is the SMILES notation for N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
The canonical SMILES for N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide is CCC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)nn1-c1ccccc1.
What is the InChIKey of N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
The InChIKey is JAGRBWDRDJMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-24(31)26-23-17-22(27-30(23)21-7-5-4-6-8-21)25(32)29-15-13-28(14-16-29)18-20-11-9-19(2)10-12-20/h4-12,17H,3,13-16,18H2,1-2H3,(H,26,31).
What are the key properties of N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide?
N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide is sourced from PubChem (CID 51998908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).