(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol

C14H17ClN2O — CID 43333639

IUPAC(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
SMILESCCCc1nn(Cc2ccccc2)c(Cl)c1CO
InChIInChI=1S/C14H17ClN2O/c1-2-6-13-12(10-18)14(15)17(16-13)9-11-7-4-3-5-8-11/h3-5,7-8,18H,2,6,9-10H2,1H3
InChIKeyFUBDJBAFGBMOEY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.03
Rot. Bonds5

About (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol

(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol (PubChem CID 43333639) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
PubChem CID43333639
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
SMILESCCCc1nn(Cc2ccccc2)c(Cl)c1CO
InChIInChI=1S/C14H17ClN2O/c1-2-6-13-12(10-18)14(15)17(16-13)9-11-7-4-3-5-8-11/h3-5,7-8,18H,2,6,9-10H2,1H3
InChIKeyFUBDJBAFGBMOEY-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol?
The IUPAC name of (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol (CID 43333639) is (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol?
The canonical SMILES for (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol is CCCc1nn(Cc2ccccc2)c(Cl)c1CO.
What is the InChIKey of (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol?
The InChIKey is FUBDJBAFGBMOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-6-13-12(10-18)14(15)17(16-13)9-11-7-4-3-5-8-11/h3-5,7-8,18H,2,6,9-10H2,1H3.
What are the key properties of (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol?
(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol has a molecular weight of 264.76 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 43333639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).