(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine

C11H11ClN4 — CID 699347

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
SMILESCc1nn(-c2ccccc2)c(Cl)c1C=NN
InChIInChI=1S/C11H11ClN4/c1-8-10(7-14-13)11(12)16(15-8)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyKHBTYOATUQQKFV-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.13
Rot. Bonds2

About (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine (PubChem CID 699347) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
PubChem CID699347
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
SMILESCc1nn(-c2ccccc2)c(Cl)c1C=NN
InChIInChI=1S/C11H11ClN4/c1-8-10(7-14-13)11(12)16(15-8)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyKHBTYOATUQQKFV-UHFFFAOYSA-N
XLogP2.13
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
CID 46567036
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 3319538
(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 6597521
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzonitrile
CID 2795287
N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
CID 2322272
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]naphthalen-2-amine
CID 3669791
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
CID 7301273
2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 1079704
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 6907935
2-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
CID 45327494
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6070242

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine (CID 699347) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine is Cc1nn(-c2ccccc2)c(Cl)c1C=NN.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine?
The InChIKey is KHBTYOATUQQKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-8-10(7-14-13)11(12)16(15-8)9-5-3-2-4-6-9/h2-7H,13H2,1H3.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine has a molecular weight of 234.69 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine is sourced from PubChem (CID 699347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).