N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide

C15H17N3O — CID 115628445

IUPACN-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O/c1-2-3-7-10-16-15(19)14-11-13(17-18-14)12-8-5-4-6-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,16,19)(H,17,18)/b3-2+
InChIKeyZEWXAQHLMXEFFZ-NSCUHMNNSA-N
MW255.32 g/mol
LogP2.77
Rot. Bonds5

About N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 115628445) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID115628445
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O/c1-2-3-7-10-16-15(19)14-11-13(17-18-14)12-8-5-4-6-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,16,19)(H,17,18)/b3-2+
InChIKeyZEWXAQHLMXEFFZ-NSCUHMNNSA-N
XLogP2.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-cyclopropyl-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide
CID 1828737
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CID 1606508
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
US10022354, Example 183
CID 121279732
N-cyclopentyl-1H-indazole-3-carboxamide
CID 2563801
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
Cumyl-inaca
CID 117645167
Ab-chfupyca
CID 122213879
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 145970598
N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 2595305

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 115628445) is N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide is C/C=C/CCNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZEWXAQHLMXEFFZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-3-7-10-16-15(19)14-11-13(17-18-14)12-8-5-4-6-9-12/h2-6,8-9,11H,7,10H2,1H3,(H,16,19)(H,17,18)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 115628445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).