[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine

C15H21ClN4 — CID 105209054

IUPAC[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)c2c(Cl)cnn2C(C)C)c1
InChIInChI=1S/C15H21ClN4/c1-10(2)20-15(13(16)9-18-20)14(19-17)8-12-6-4-5-11(3)7-12/h4-7,9-10,14,19H,8,17H2,1-3H3
InChIKeyBQDIGBUQFAQWOZ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.17
Rot. Bonds5

About [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine

[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine (PubChem CID 105209054) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
PubChem CID105209054
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)c2c(Cl)cnn2C(C)C)c1
InChIInChI=1S/C15H21ClN4/c1-10(2)20-15(13(16)9-18-20)14(19-17)8-12-6-4-5-11(3)7-12/h4-7,9-10,14,19H,8,17H2,1-3H3
InChIKeyBQDIGBUQFAQWOZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648285
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
CID 114648271
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647090
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-methylphenyl)ethanol
CID 114643232
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114648961
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 105208981
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211346
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236300
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
CID 105336873
[1-(3-methylimidazol-4-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105264611

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine (CID 105209054) is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine is Cc1cccc(CC(NN)c2c(Cl)cnn2C(C)C)c1.
What is the InChIKey of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The InChIKey is BQDIGBUQFAQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10(2)20-15(13(16)9-18-20)14(19-17)8-12-6-4-5-11(3)7-12/h4-7,9-10,14,19H,8,17H2,1-3H3.
What are the key properties of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine?
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine has a molecular weight of 292.81 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105209054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).