3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol

C14H18N2O2 — CID 14568875

IUPAC3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
SMILESCOc1ccc(-c2cc(C(C)C(C)O)[nH]n2)cc1
InChIInChI=1S/C14H18N2O2/c1-9(10(2)17)13-8-14(16-15-13)11-4-6-12(18-3)7-5-11/h4-10,17H,1-3H3,(H,15,16)
InChIKeyXCXWDTBVBVJZME-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds4

About 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol

3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol (PubChem CID 14568875) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
PubChem CID14568875
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
SMILESCOc1ccc(-c2cc(C(C)C(C)O)[nH]n2)cc1
InChIInChI=1S/C14H18N2O2/c1-9(10(2)17)13-8-14(16-15-13)11-4-6-12(18-3)7-5-11/h4-10,17H,1-3H3,(H,15,16)
InChIKeyXCXWDTBVBVJZME-UHFFFAOYSA-N
XLogP2.57
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568874
3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936
N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986425
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82393432
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 166627944
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol (CID 14568875) is 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol is COc1ccc(-c2cc(C(C)C(C)O)[nH]n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol?
The InChIKey is XCXWDTBVBVJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(10(2)17)13-8-14(16-15-13)11-4-6-12(18-3)7-5-11/h4-10,17H,1-3H3,(H,15,16).
What are the key properties of 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol?
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol is sourced from PubChem (CID 14568875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).