N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide

C11H12IN5O — CID 154843776

IUPACN-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide
SMILESCn1nc(NC(=O)c2cn[nH]c2I)cc1C1CC1
InChIInChI=1S/C11H12IN5O/c1-17-8(6-2-3-6)4-9(16-17)14-11(18)7-5-13-15-10(7)12/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16,18)
InChIKeyVKJWUUUOWCKPSV-UHFFFAOYSA-N
MW357.16 g/mol
LogP1.88
Rot. Bonds3

About N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide

N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide (PubChem CID 154843776) has the molecular formula C11H12IN5O and a molecular weight of 357.16 g/mol. Its IUPAC name is N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide
PubChem CID154843776
Molecular FormulaC11H12IN5O
Molecular Weight357.16 g/mol
Exact Mass357.01
IUPAC NameN-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide
SMILESCn1nc(NC(=O)c2cn[nH]c2I)cc1C1CC1
InChIInChI=1S/C11H12IN5O/c1-17-8(6-2-3-6)4-9(16-17)14-11(18)7-5-13-15-10(7)12/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16,18)
InChIKeyVKJWUUUOWCKPSV-UHFFFAOYSA-N
XLogP1.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
CID 164792338
2-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]acetic acid
CID 154882036
N'-(5-cyclopropyl-1-methylpyrazol-3-yl)-N-(2-pyrazin-2-ylethyl)oxamide
CID 166212644
2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056
5-cyclohexyl-N,1-dimethylpyrazol-3-amine
CID 116827500
4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415413
5-cyclobutyl-N-cyclopropyl-1-methylpyrazol-3-amine
CID 116827598
5-cyclopropyl-N-(6-cyclopropylpyridazin-3-yl)-1-methylpyrazole-4-carboxamide
CID 127326975
2-(5-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid
CID 155894444
N-(5-cyclopropyl-1-propylpyrazol-3-yl)azetidine-3-carboxamide
CID 142434425
(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364489
5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 16622153

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide (CID 154843776) is N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide is Cn1nc(NC(=O)c2cn[nH]c2I)cc1C1CC1.
What is the InChIKey of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide?
The InChIKey is VKJWUUUOWCKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN5O/c1-17-8(6-2-3-6)4-9(16-17)14-11(18)7-5-13-15-10(7)12/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16,18).
What are the key properties of N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide?
N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide has a molecular weight of 357.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1-methylpyrazol-3-yl)-5-iodo-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154843776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).