4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline

C17H17N5 — CID 170234637

IUPAC4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline
SMILESC=C(NN)c1cc(-c2ccc(N)cc2)nn1-c1ccccc1
InChIInChI=1S/C17H17N5/c1-12(20-19)17-11-16(13-7-9-14(18)10-8-13)21-22(17)15-5-3-2-4-6-15/h2-11,20H,1,18-19H2
InChIKeySOLFSDBSBJUJLM-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.56
Rot. Bonds4

About 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline

4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline (PubChem CID 170234637) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline
PubChem CID170234637
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline
SMILESC=C(NN)c1cc(-c2ccc(N)cc2)nn1-c1ccccc1
InChIInChI=1S/C17H17N5/c1-12(20-19)17-11-16(13-7-9-14(18)10-8-13)21-22(17)15-5-3-2-4-6-15/h2-11,20H,1,18-19H2
InChIKeySOLFSDBSBJUJLM-UHFFFAOYSA-N
XLogP2.56
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-diphenylpyrazol-5-yl)ethenamine
CID 170234692
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
1,3-diphenylpyrazole-5-carboximidamide
CID 170235177
3-(4-iodophenyl)-1-phenylpyrazol-5-amine
CID 43336728
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
methyl 3-(4-methylsulfanylphenyl)-1-phenylpyrazole-5-carboxylate
CID 11163130
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
1,3,5-triphenylpyrazole
CID 626614
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561078
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 9115824

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline?
The IUPAC name of 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline (CID 170234637) is 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline?
The canonical SMILES for 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline is C=C(NN)c1cc(-c2ccc(N)cc2)nn1-c1ccccc1.
What is the InChIKey of 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline?
The InChIKey is SOLFSDBSBJUJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-12(20-19)17-11-16(13-7-9-14(18)10-8-13)21-22(17)15-5-3-2-4-6-15/h2-11,20H,1,18-19H2.
What are the key properties of 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline?
4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline has a molecular weight of 291.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-hydrazinylethenyl)-1-phenylpyrazol-3-yl]aniline is sourced from PubChem (CID 170234637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).