1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide

C21H23ClN4O — CID 2812493

IUPAC1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNc2cccc(Cl)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H23ClN4O/c1-21(2,3)19-13-18(26(25-19)14-15-8-5-4-6-9-15)20(27)24-23-17-11-7-10-16(22)12-17/h4-13,23H,14H2,1-3H3,(H,24,27)
InChIKeyBWHKFQLAZFINNK-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.64
Rot. Bonds5

About 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide

1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide (PubChem CID 2812493) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide
PubChem CID2812493
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNc2cccc(Cl)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H23ClN4O/c1-21(2,3)19-13-18(26(25-19)14-15-8-5-4-6-9-15)20(27)24-23-17-11-7-10-16(22)12-17/h4-13,23H,14H2,1-3H3,(H,24,27)
InChIKeyBWHKFQLAZFINNK-UHFFFAOYSA-N
XLogP4.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)phenyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 56649047
1-[(1-benzyl-3-tert-butylpyrazole-5-carbonyl)amino]-3-methylthiourea
CID 87308855
1-benzyl-3-tert-butyl-N-(2-chlorophenyl)pyrazole-5-carboxamide
CID 2744531
1-benzyl-3-tert-butylpyrazole-5-carboxylic acid;4-chloroaniline
CID 70179935
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
(4-chloro-3,5-dimethylphenyl) 1-benzyl-3-tert-butylpyrazole-5-carboxylate
CID 2744524
1-benzyl-3-tert-butyl-N-isoquinolin-1-ylpyrazole-5-carboxamide
CID 54168180
1-benzyl-3-tert-butylpyrazole-5-carboxylic acid;4-tert-butylaniline
CID 70178904
3-tert-butyl-1-[(3-methylphenyl)methyl]pyrazole-5-carbonyl chloride
CID 2735675
1-[(3-bromophenyl)methyl]-3-tert-butylpyrazole-5-carboxylic acid
CID 162420913
(4-methylphenyl) 1-benzyl-3-tert-butylpyrazole-5-carboxylate
CID 3634131
1-benzyl-3-tert-butyl-N-(4-chlorophenyl)pyrazole-5-carboxamide;4-(1-benzylindazol-3-yl)-N-ethylbutan-1-amine
CID 158549161

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide (CID 2812493) is 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide is CC(C)(C)c1cc(C(=O)NNc2cccc(Cl)c2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide?
The InChIKey is BWHKFQLAZFINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-21(2,3)19-13-18(26(25-19)14-15-8-5-4-6-9-15)20(27)24-23-17-11-7-10-16(22)12-17/h4-13,23H,14H2,1-3H3,(H,24,27).
What are the key properties of 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide?
1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide has a molecular weight of 382.90 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-N'-(3-chlorophenyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 2812493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).