2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol

C15H18ClN3O — CID 134612989

IUPAC2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N/C(C)(C)CO
InChIInChI=1S/C15H18ClN3O/c1-11-13(9-17-15(2,3)10-20)14(16)19(18-11)12-7-5-4-6-8-12/h4-9,20H,10H2,1-3H3/b17-9+
InChIKeyFONRSNRDLNXFTC-RQZCQDPDSA-N
MW291.78 g/mol
LogP3.02
Rot. Bonds4

About 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol

2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol (PubChem CID 134612989) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
PubChem CID134612989
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N/C(C)(C)CO
InChIInChI=1S/C15H18ClN3O/c1-11-13(9-17-15(2,3)10-20)14(16)19(18-11)12-7-5-4-6-8-12/h4-9,20H,10H2,1-3H3/b17-9+
InChIKeyFONRSNRDLNXFTC-RQZCQDPDSA-N
XLogP3.02
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol (CID 134612989) is 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol is Cc1nn(-c2ccccc2)c(Cl)c1/C=N/C(C)(C)CO.
What is the InChIKey of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The InChIKey is FONRSNRDLNXFTC-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-13(9-17-15(2,3)10-20)14(16)19(18-11)12-7-5-4-6-8-12/h4-9,20H,10H2,1-3H3/b17-9+.
What are the key properties of 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol is sourced from PubChem (CID 134612989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).