5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide

C20H22N6O2 — CID 51998736

IUPAC5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N6O2/c27-19(15-8-9-15)23-18-14-17(24-26(18)16-6-2-1-3-7-16)20(28)21-10-4-12-25-13-5-11-22-25/h1-3,5-7,11,13-15H,4,8-10,12H2,(H,21,28)(H,23,27)
InChIKeyMIWVDIMUEXEWLW-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.24
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide

5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide (PubChem CID 51998736) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
PubChem CID51998736
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N6O2/c27-19(15-8-9-15)23-18-14-17(24-26(18)16-6-2-1-3-7-16)20(28)21-10-4-12-25-13-5-11-22-25/h1-3,5-7,11,13-15H,4,8-10,12H2,(H,21,28)(H,23,27)
InChIKeyMIWVDIMUEXEWLW-UHFFFAOYSA-N
XLogP2.24
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998612
5-(cyclopropanecarbonylamino)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998610
5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 51998569
5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
CID 51999451
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide
CID 37392411
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998715
3-(3-pyrazol-1-ylpropylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369939
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide (CID 51998736) is 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide is O=C(NCCCn1cccn1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is MIWVDIMUEXEWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19(15-8-9-15)23-18-14-17(24-26(18)16-6-2-1-3-7-16)20(28)21-10-4-12-25-13-5-11-22-25/h1-3,5-7,11,13-15H,4,8-10,12H2,(H,21,28)(H,23,27).
What are the key properties of 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-1-phenyl-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 51998736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).