1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol

C14H17N3O — CID 141430315

IUPAC1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol
SMILESCc1ccc(-c2cc(CN3CC(O)C3)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)14-6-12(15-16-14)7-17-8-13(18)9-17/h2-6,13,18H,7-9H2,1H3,(H,15,16)
InChIKeyHXCDSNFCMLCMEJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.56
Rot. Bonds3

About 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol

1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol (PubChem CID 141430315) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol
PubChem CID141430315
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol
SMILESCc1ccc(-c2cc(CN3CC(O)C3)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)14-6-12(15-16-14)7-17-8-13(18)9-17/h2-6,13,18H,7-9H2,1H3,(H,15,16)
InChIKeyHXCDSNFCMLCMEJ-UHFFFAOYSA-N
XLogP1.56
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol (CID 141430315) is 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol is Cc1ccc(-c2cc(CN3CC(O)C3)[nH]n2)cc1.
What is the InChIKey of 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol?
The InChIKey is HXCDSNFCMLCMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)14-6-12(15-16-14)7-17-8-13(18)9-17/h2-6,13,18H,7-9H2,1H3,(H,15,16).
What are the key properties of 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol?
1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol has a molecular weight of 243.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 141430315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).