4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide

C10H11IN4O — CID 146088297

IUPAC4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc(I)c[nH]2)n[nH]1
InChIInChI=1S/C10H11IN4O/c1-6-2-8(15-14-6)5-13-10(16)9-3-7(11)4-12-9/h2-4,12H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyZJAFBXJXGNTNFV-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.58
Rot. Bonds3

About 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide

4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 146088297) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID146088297
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc(I)c[nH]2)n[nH]1
InChIInChI=1S/C10H11IN4O/c1-6-2-8(15-14-6)5-13-10(16)9-3-7(11)4-12-9/h2-4,12H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyZJAFBXJXGNTNFV-UHFFFAOYSA-N
XLogP1.58
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[2-(methylamino)ethyl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119502650
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 167991505
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 166204960
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47292396
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484286
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 55121841
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 61140004
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56706860
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 75435886
ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 171515765
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide (CID 146088297) is 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide is Cc1cc(CNC(=O)c2cc(I)c[nH]2)n[nH]1.
What is the InChIKey of 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZJAFBXJXGNTNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-6-2-8(15-14-6)5-13-10(16)9-3-7(11)4-12-9/h2-4,12H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide?
4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 330.13 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 146088297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).