4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide

C14H16N4O — CID 64778361

IUPAC4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2ccc(C3CC3)n2)cc1
InChIInChI=1S/C14H16N4O/c15-16-14(19)12-3-1-10(2-4-12)9-18-8-7-13(17-18)11-5-6-11/h1-4,7-8,11H,5-6,9,15H2,(H,16,19)
InChIKeyKQDIMILAZYQUGI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.41
Rot. Bonds4

About 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide

4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide (PubChem CID 64778361) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide
PubChem CID64778361
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2ccc(C3CC3)n2)cc1
InChIInChI=1S/C14H16N4O/c15-16-14(19)12-3-1-10(2-4-12)9-18-8-7-13(17-18)11-5-6-11/h1-4,7-8,11H,5-6,9,15H2,(H,16,19)
InChIKeyKQDIMILAZYQUGI-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

methyl 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzoate
CID 64778175
4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
CID 843247
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781499
4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 106698875
5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 64778183
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651
ethyl 2-(3-cyclopropylpyrazol-1-yl)acetate
CID 25247560
4-[[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126443440
4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide
CID 143419597
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
CID 79164962
1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 105352263
2-(3-cyclopropylpyrazol-1-yl)propanehydrazide
CID 19621368

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide (CID 64778361) is 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2ccc(C3CC3)n2)cc1.
What is the InChIKey of 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is KQDIMILAZYQUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-16-14(19)12-3-1-10(2-4-12)9-18-8-7-13(17-18)11-5-6-11/h1-4,7-8,11H,5-6,9,15H2,(H,16,19).
What are the key properties of 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide?
4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 256.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 64778361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).