1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol

C14H24N2O2 — CID 79616778

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
SMILESCOC(C)C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H24N2O2/c1-11(18-2)14(17)10-12-8-9-16(15-12)13-6-4-3-5-7-13/h8-9,11,13-14,17H,3-7,10H2,1-2H3
InChIKeyXCAQEJFPKLXSJI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.33
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol

1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol (PubChem CID 79616778) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
PubChem CID79616778
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
SMILESCOC(C)C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H24N2O2/c1-11(18-2)14(17)10-12-8-9-16(15-12)13-6-4-3-5-7-13/h8-9,11,13-14,17H,3-7,10H2,1-2H3
InChIKeyXCAQEJFPKLXSJI-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-(1-cyclopentylpyrazol-3-yl)-3-methoxyhexan-2-ol
CID 116711674
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-amine
CID 116719628
1-(1-cyclopentylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560149
1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720039

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol (CID 79616778) is 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol is COC(C)C(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol?
The InChIKey is XCAQEJFPKLXSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(18-2)14(17)10-12-8-9-16(15-12)13-6-4-3-5-7-13/h8-9,11,13-14,17H,3-7,10H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol?
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol is sourced from PubChem (CID 79616778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).