1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide

C14H16N4O — CID 162772863

IUPAC1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide
SMILESC=CCc1cn(Cc2ccccc2)nc1C(=O)NN
InChIInChI=1S/C14H16N4O/c1-2-6-12-10-18(17-13(12)14(19)16-15)9-11-7-4-3-5-8-11/h2-5,7-8,10H,1,6,9,15H2,(H,16,19)
InChIKeyAOHDFJNMTAIXFC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.26
Rot. Bonds5

About 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide

1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide (PubChem CID 162772863) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide
PubChem CID162772863
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide
SMILESC=CCc1cn(Cc2ccccc2)nc1C(=O)NN
InChIInChI=1S/C14H16N4O/c1-2-6-12-10-18(17-13(12)14(19)16-15)9-11-7-4-3-5-8-11/h2-5,7-8,10H,1,6,9,15H2,(H,16,19)
InChIKeyAOHDFJNMTAIXFC-UHFFFAOYSA-N
XLogP1.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.26
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-prop-2-enylpyrazole-3-carboxylic acid;ethane
CID 162726747
1-benzylpyrazole-4-carbohydrazide
CID 83386286
3-prop-2-enylbenzohydrazide
CID 20555786
ethyl 1-benzyl-3-(prop-2-enylcarbamoylamino)pyrazole-4-carboxylate
CID 22101111
ethyl 1-benzyl-4-chloropyrazole-3-carboxylate
CID 130298994
methyl 5-(1-benzyl-3-prop-2-enylpyrazol-4-yl)-4-methylthiophene-2-carboxylate
CID 68761878
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
N-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216
tert-butyl N-[2-[2-[(1-benzyl-4-prop-2-enylpyrazole-3-carbonyl)amino]acetyl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate;tert-butyl N-[2-[5-(1-benzyl-4-prop-2-enylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-6-[(2R)-pent-4-en-2-yl]oxy-3-pyridinyl]carbamate
CID 163431631
1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide
CID 175986082
1-benzyl-3-(chloromethyl)pyrazole-4-carbaldehyde
CID 139675183
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide?
The IUPAC name of 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide (CID 162772863) is 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide is C=CCc1cn(Cc2ccccc2)nc1C(=O)NN.
What is the InChIKey of 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide?
The InChIKey is AOHDFJNMTAIXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-6-12-10-18(17-13(12)14(19)16-15)9-11-7-4-3-5-8-11/h2-5,7-8,10H,1,6,9,15H2,(H,16,19).
What are the key properties of 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide?
1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide has a molecular weight of 256.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-prop-2-enylpyrazole-3-carbohydrazide is sourced from PubChem (CID 162772863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).