4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide

C13H13IN4O — CID 62075638

IUPAC4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2ccc(I)cc2)n[nH]c1C1CC1
InChIInChI=1S/C13H13IN4O/c14-8-3-5-9(6-4-8)16-13(19)12-10(15)11(17-18-12)7-1-2-7/h3-7H,1-2,15H2,(H,16,19)(H,17,18)
InChIKeyJOURJFYDDHKFCE-UHFFFAOYSA-N
MW368.18 g/mol
LogP2.73
Rot. Bonds3

About 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 62075638) has the molecular formula C13H13IN4O and a molecular weight of 368.18 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
PubChem CID62075638
Molecular FormulaC13H13IN4O
Molecular Weight368.18 g/mol
Exact Mass368.01
IUPAC Name4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2ccc(I)cc2)n[nH]c1C1CC1
InChIInChI=1S/C13H13IN4O/c14-8-3-5-9(6-4-8)16-13(19)12-10(15)11(17-18-12)7-1-2-7/h3-7H,1-2,15H2,(H,16,19)(H,17,18)
InChIKeyJOURJFYDDHKFCE-UHFFFAOYSA-N
XLogP2.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide (CID 62075638) is 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide is Nc1c(C(=O)Nc2ccc(I)cc2)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JOURJFYDDHKFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4O/c14-8-3-5-9(6-4-8)16-13(19)12-10(15)11(17-18-12)7-1-2-7/h3-7H,1-2,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 368.18 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).