N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide

C18H20N6O2 — CID 19411137

IUPACN-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2cnn(C)c2C(=O)Nc2cnn(C)c2C)c1
InChIInChI=1S/C18H20N6O2/c1-11-6-5-7-13(8-11)17(25)22-15-10-20-24(4)16(15)18(26)21-14-9-19-23(3)12(14)2/h5-10H,1-4H3,(H,21,26)(H,22,25)
InChIKeyNGCPBVKKEPOQLH-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.28
Rot. Bonds4

About N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide (PubChem CID 19411137) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
PubChem CID19411137
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2cnn(C)c2C(=O)Nc2cnn(C)c2C)c1
InChIInChI=1S/C18H20N6O2/c1-11-6-5-7-13(8-11)17(25)22-15-10-20-24(4)16(15)18(26)21-14-9-19-23(3)12(14)2/h5-10H,1-4H3,(H,21,26)(H,22,25)
InChIKeyNGCPBVKKEPOQLH-UHFFFAOYSA-N
XLogP2.28
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19336564
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(4-methyl-3-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19336553
4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336622
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
4-[(3-cyanobenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339750
4-[[3-[(2,4-dimethylphenoxy)methyl]benzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339733
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
2-[4-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504744
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19411125

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide (CID 19411137) is N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide is Cc1cccc(C(=O)Nc2cnn(C)c2C(=O)Nc2cnn(C)c2C)c1.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide?
The InChIKey is NGCPBVKKEPOQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-6-5-7-13(8-11)17(25)22-15-10-20-24(4)16(15)18(26)21-14-9-19-23(3)12(14)2/h5-10H,1-4H3,(H,21,26)(H,22,25).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19411137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).