[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol

C14H15ClN2O — CID 66437255

IUPAC[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccccc2Cl)c1C1CC1
InChIInChI=1S/C14H15ClN2O/c15-13-4-2-1-3-11(13)8-17-14(10-5-6-10)12(9-18)7-16-17/h1-4,7,10,18H,5-6,8-9H2
InChIKeyNBLOOAJVVLPAHL-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.95
Rot. Bonds4

About [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol

[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol (PubChem CID 66437255) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
PubChem CID66437255
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccccc2Cl)c1C1CC1
InChIInChI=1S/C14H15ClN2O/c15-13-4-2-1-3-11(13)8-17-14(10-5-6-10)12(9-18)7-16-17/h1-4,7,10,18H,5-6,8-9H2
InChIKeyNBLOOAJVVLPAHL-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol (CID 66437255) is [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol is OCc1cnn(Cc2ccccc2Cl)c1C1CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol?
The InChIKey is NBLOOAJVVLPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-4-2-1-3-11(13)8-17-14(10-5-6-10)12(9-18)7-16-17/h1-4,7,10,18H,5-6,8-9H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol?
[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol has a molecular weight of 262.74 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol is sourced from PubChem (CID 66437255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).