1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide

C14H17N5O2 — CID 64781499

IUPAC1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(Cc2ccc(C(=O)NN)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-18(2)14(21)12-7-8-19(17-12)9-10-3-5-11(6-4-10)13(20)16-15/h3-8H,9,15H2,1-2H3,(H,16,20)
InChIKeyFNWOVDAJLHWKQQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.24
Rot. Bonds4

About 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide

1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64781499) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64781499
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(Cc2ccc(C(=O)NN)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-18(2)14(21)12-7-8-19(17-12)9-10-3-5-11(6-4-10)13(20)16-15/h3-8H,9,15H2,1-2H3,(H,16,20)
InChIKeyFNWOVDAJLHWKQQ-UHFFFAOYSA-N
XLogP0.24
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
CID 843247
4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide
CID 64778361
1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 105352263
3-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64781113
5-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64780729
5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64777811
4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64780921
2-[4-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]propanoic acid
CID 105345457
methyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoate
CID 64781303
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
CID 6299283
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide (CID 64781499) is 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(Cc2ccc(C(=O)NN)cc2)n1.
What is the InChIKey of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is FNWOVDAJLHWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(2)14(21)12-7-8-19(17-12)9-10-3-5-11(6-4-10)13(20)16-15/h3-8H,9,15H2,1-2H3,(H,16,20).
What are the key properties of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64781499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).