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

C15H21ClN4O — CID 105336741

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2c(Cl)cnn2C(C)C)ccc1C
InChIInChI=1S/C15H21ClN4O/c1-9(2)20-15(12(16)8-18-20)14(19-17)11-6-5-10(3)13(7-11)21-4/h5-9,14,19H,17H2,1-4H3
InChIKeyYRILAFQODQQJLZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.99
Rot. Bonds5

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

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine (PubChem CID 105336741) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
PubChem CID105336741
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2c(Cl)cnn2C(C)C)ccc1C
InChIInChI=1S/C15H21ClN4O/c1-9(2)20-15(12(16)8-18-20)14(19-17)11-6-5-10(3)13(7-11)21-4/h5-9,14,19H,17H2,1-4H3
InChIKeyYRILAFQODQQJLZ-UHFFFAOYSA-N
XLogP2.99
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3-fluoro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105201541
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105252746
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207979
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192162
[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105041637
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594
[(4-bromo-2-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339599

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine (CID 105336741) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine is COc1cc(C(NN)c2c(Cl)cnn2C(C)C)ccc1C.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine?
The InChIKey is YRILAFQODQQJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-9(2)20-15(12(16)8-18-20)14(19-17)11-6-5-10(3)13(7-11)21-4/h5-9,14,19H,17H2,1-4H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine has a molecular weight of 308.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105336741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).