[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol

C14H17ClN2O — CID 66440403

IUPAC[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-3-4-14-11(9-18)8-16-17(14)12-6-5-10(2)13(15)7-12/h5-8,18H,3-4,9H2,1-2H3
InChIKeyFHBWBOPRVNHLIH-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.28
Rot. Bonds4

About [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol

[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol (PubChem CID 66440403) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
PubChem CID66440403
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-3-4-14-11(9-18)8-16-17(14)12-6-5-10(2)13(15)7-12/h5-8,18H,3-4,9H2,1-2H3
InChIKeyFHBWBOPRVNHLIH-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol (CID 66440403) is [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol is CCCc1c(CO)cnn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol?
The InChIKey is FHBWBOPRVNHLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-4-14-11(9-18)8-16-17(14)12-6-5-10(2)13(15)7-12/h5-8,18H,3-4,9H2,1-2H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol?
[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol has a molecular weight of 264.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 66440403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).