N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide

C15H17ClN4O — CID 5046574

IUPACN'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQEYROFLYAZOVFT-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.09
Rot. Bonds5

About N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide

N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide (PubChem CID 5046574) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
PubChem CID5046574
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQEYROFLYAZOVFT-UHFFFAOYSA-N
XLogP3.09
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245043
N-[(4-chlorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244745
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
N'-[1-(4-chlorophenyl)ethenyl]-4-hydroxybenzohydrazide
CID 2456682
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
3-methylsulfonyl-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]benzoic acid
CID 119257679
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245202
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 5403042
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47213767
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 91639549

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide (CID 5046574) is N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide is C=C(NNC(=O)c1cc(C(C)C)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The InChIKey is QEYROFLYAZOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9(2)13-8-14(19-18-13)15(21)20-17-10(3)11-4-6-12(16)7-5-11/h4-9,17H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide has a molecular weight of 304.78 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)ethenyl]-5-propan-2-yl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 5046574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).