1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide

C13H13IN4O2 — CID 19412436

IUPAC1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccccc2I)c(C(N)=O)n1
InChIInChI=1S/C13H13IN4O2/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H2,15,19)(H,16,20)
InChIKeyRDMRTRJCVZRSIN-UHFFFAOYSA-N
MW384.18 g/mol
LogP1.86
Rot. Bonds4

About 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide

1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide (PubChem CID 19412436) has the molecular formula C13H13IN4O2 and a molecular weight of 384.18 g/mol. Its IUPAC name is 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
PubChem CID19412436
Molecular FormulaC13H13IN4O2
Molecular Weight384.18 g/mol
Exact Mass384.01
IUPAC Name1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccccc2I)c(C(N)=O)n1
InChIInChI=1S/C13H13IN4O2/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H2,15,19)(H,16,20)
InChIKeyRDMRTRJCVZRSIN-UHFFFAOYSA-N
XLogP1.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 51.86
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

1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19412628
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
1-ethyl-4-formamidopyrazole-3-carboxamide
CID 4777031
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19271796
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-iodobenzamide
CID 19333078
N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
CID 19394235
4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide (CID 19412436) is 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccccc2I)c(C(N)=O)n1.
What is the InChIKey of 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide?
The InChIKey is RDMRTRJCVZRSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4O2/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14/h3-7H,2H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide?
1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide has a molecular weight of 384.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19412436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).