N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

C10H12N4O — CID 110461051

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C10H12N4O/c1-14-7-8(6-13-14)5-12-10(15)9-3-2-4-11-9/h2-4,6-7,11H,5H2,1H3,(H,12,15)
InChIKeyKFMLEFFHYLFYAF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 110461051) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID110461051
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C10H12N4O/c1-14-7-8(6-13-14)5-12-10(15)9-3-2-4-11-9/h2-4,6-7,11H,5H2,1H3,(H,12,15)
InChIKeyKFMLEFFHYLFYAF-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-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 110480990
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
1-methyl-4-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623851
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 110461051) is N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is Cn1cc(CNC(=O)c2ccc[nH]2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KFMLEFFHYLFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-7-8(6-13-14)5-12-10(15)9-3-2-4-11-9/h2-4,6-7,11H,5H2,1H3,(H,12,15).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-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 N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110461051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).