1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide

C16H16N6O2 — CID 19475727

IUPAC1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccnn3C)cc2)n1
InChIInChI=1S/C16H16N6O2/c1-21-10-8-13(20-21)15(23)18-11-3-5-12(6-4-11)19-16(24)14-7-9-17-22(14)2/h3-10H,1-2H3,(H,18,23)(H,19,24)
InChIKeyMYZGMMGLANMYMG-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.66
Rot. Bonds4

About 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide

1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (PubChem CID 19475727) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
PubChem CID19475727
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccnn3C)cc2)n1
InChIInChI=1S/C16H16N6O2/c1-21-10-8-13(20-21)15(23)18-11-3-5-12(6-4-11)19-16(24)14-7-9-17-22(14)2/h3-10H,1-2H3,(H,18,23)(H,19,24)
InChIKeyMYZGMMGLANMYMG-UHFFFAOYSA-N
XLogP1.66
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 103121322
N-[4-(cyanomethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 113230498

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (CID 19475727) is 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(NC(=O)c3ccnn3C)cc2)n1.
What is the InChIKey of 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is MYZGMMGLANMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-21-10-8-13(20-21)15(23)18-11-3-5-12(6-4-11)19-16(24)14-7-9-17-22(14)2/h3-10H,1-2H3,(H,18,23)(H,19,24).
What are the key properties of 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19475727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).