N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C19H26ClN7O — CID 42793282

IUPACN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(Cc1nn(C)cc1Cl)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C19H26ClN7O/c1-11-15(13(3)25(6)21-11)8-27(10-17-16(20)9-24(5)23-17)19(28)18-12(2)22-26(7)14(18)4/h9H,8,10H2,1-7H3
InChIKeyLXYHXRAGTPNAJH-UHFFFAOYSA-N
MW403.92 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 42793282) has the molecular formula C19H26ClN7O and a molecular weight of 403.92 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID42793282
Molecular FormulaC19H26ClN7O
Molecular Weight403.92 g/mol
Exact Mass403.19
IUPAC NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(Cc1nn(C)cc1Cl)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C19H26ClN7O/c1-11-15(13(3)25(6)21-11)8-27(10-17-16(20)9-24(5)23-17)19(28)18-12(2)22-26(7)14(18)4/h9H,8,10H2,1-7H3
InChIKeyLXYHXRAGTPNAJH-UHFFFAOYSA-N
XLogP2.62
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19277979
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]quinoline-8-carboxamide
CID 42784611
N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 42780924
N-(1,3-benzodioxol-4-ylmethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 42793448
4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278138
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 19477826
ethyl 2-[[(2-chlorobenzoyl)-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 42791918
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19623887
N,1,3,5-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-4-carboxamide
CID 77089309
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 42793282) is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1CN(Cc1nn(C)cc1Cl)C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is LXYHXRAGTPNAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7O/c1-11-15(13(3)25(6)21-11)8-27(10-17-16(20)9-24(5)23-17)19(28)18-12(2)22-26(7)14(18)4/h9H,8,10H2,1-7H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 403.92 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42793282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).