1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide

C19H22N6O2 — CID 19396361

IUPAC1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cccc(Cn3cccn3)c2)cnn1C
InChIInChI=1S/C19H22N6O2/c1-3-8-20-19(27)17-16(12-22-24(17)2)23-18(26)15-7-4-6-14(11-15)13-25-10-5-9-21-25/h4-7,9-12H,3,8,13H2,1-2H3,(H,20,27)(H,23,26)
InChIKeyZDIOPWWIHHQLIH-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.06
Rot. Bonds7

About 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide

1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide (PubChem CID 19396361) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
PubChem CID19396361
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cccc(Cn3cccn3)c2)cnn1C
InChIInChI=1S/C19H22N6O2/c1-3-8-20-19(27)17-16(12-22-24(17)2)23-18(26)15-7-4-6-14(11-15)13-25-10-5-9-21-25/h4-7,9-12H,3,8,13H2,1-2H3,(H,20,27)(H,23,26)
InChIKeyZDIOPWWIHHQLIH-UHFFFAOYSA-N
XLogP2.06
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[[3-[(4-methyl-2-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396344
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
1-methyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396173
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396346
4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396369
4-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396338
4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396289
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
CID 4775206
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396247

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide (CID 19396361) is 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2cccc(Cn3cccn3)c2)cnn1C.
What is the InChIKey of 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide?
The InChIKey is ZDIOPWWIHHQLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-8-20-19(27)17-16(12-22-24(17)2)23-18(26)15-7-4-6-14(11-15)13-25-10-5-9-21-25/h4-7,9-12H,3,8,13H2,1-2H3,(H,20,27)(H,23,26).
What are the key properties of 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide?
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19396361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).