2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide

C10H12N4O — CID 106385466

IUPAC2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H12N4O/c1-14-9(3-5-13-14)10(15)12-7-8-2-4-11-6-8/h2-6,11H,7H2,1H3,(H,12,15)
InChIKeyMHNWGTZSQUEPKX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide

2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 106385466) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID106385466
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H12N4O/c1-14-9(3-5-13-14)10(15)12-7-8-2-4-11-6-8/h2-6,11H,7H2,1H3,(H,12,15)
InChIKeyMHNWGTZSQUEPKX-UHFFFAOYSA-N
XLogP0.68
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
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2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
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CID 60894251
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2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
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3-[3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906079
N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
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2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
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CID 17167946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide (CID 106385466) is 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is MHNWGTZSQUEPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-9(3-5-13-14)10(15)12-7-8-2-4-11-6-8/h2-6,11H,7H2,1H3,(H,12,15).
What are the key properties of 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide?
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 106385466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).