5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide

C11H12ClN5O — CID 176657421

IUPAC5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide
SMILESCn1ncc(C(=O)NNc2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H12ClN5O/c1-17-10(13)9(6-14-17)11(18)16-15-8-4-2-7(12)3-5-8/h2-6,15H,13H2,1H3,(H,16,18)
InChIKeyZUYIKCUXVOJHQU-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.41
Rot. Bonds3

About 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide

5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide (PubChem CID 176657421) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide
PubChem CID176657421
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide
SMILESCn1ncc(C(=O)NNc2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H12ClN5O/c1-17-10(13)9(6-14-17)11(18)16-15-8-4-2-7(12)3-5-8/h2-6,15H,13H2,1H3,(H,16,18)
InChIKeyZUYIKCUXVOJHQU-UHFFFAOYSA-N
XLogP1.41
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
(4-chlorophenyl) 5-amino-1-methylpyrazole-4-carboxylate
CID 117213683
5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
CID 166238811
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
CID 82546712
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
CID 65360640
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 82547054

Frequently Asked Questions

What is the IUPAC name of 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide?
The IUPAC name of 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide (CID 176657421) is 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide is Cn1ncc(C(=O)NNc2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide?
The InChIKey is ZUYIKCUXVOJHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-17-10(13)9(6-14-17)11(18)16-15-8-4-2-7(12)3-5-8/h2-6,15H,13H2,1H3,(H,16,18).
What are the key properties of 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide?
5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide has a molecular weight of 265.70 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 176657421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).