N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

C10H12N4O — CID 60768162

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc[nH]1
InChIInChI=1S/C10H12N4O/c1-7-8(6-13-14-7)5-12-10(15)9-3-2-4-11-9/h2-4,6,11H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyRTIMPIXMLRJJBG-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 60768162) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID60768162
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc[nH]1
InChIInChI=1S/C10H12N4O/c1-7-8(6-13-14-7)5-12-10(15)9-3-2-4-11-9/h2-4,6,11H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyRTIMPIXMLRJJBG-UHFFFAOYSA-N
XLogP0.98
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 61140004
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 60767686
3-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 61004398
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 54896283
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
3-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 61139058
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 60768162) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccc[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RTIMPIXMLRJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-8(6-13-14-7)5-12-10(15)9-3-2-4-11-9/h2-4,6,11H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60768162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).