1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol

C14H24N2O2 — CID 103456685

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H24N2O2/c1-10(2)14(18)13(17)9-11-7-8-16(15-11)12-5-3-4-6-12/h7-8,10,12-14,17-18H,3-6,9H2,1-2H3
InChIKeyHCKNFWHXKSCOHT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.92
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol

1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol (PubChem CID 103456685) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
PubChem CID103456685
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H24N2O2/c1-10(2)14(18)13(17)9-11-7-8-16(15-11)12-5-3-4-6-12/h7-8,10,12-14,17-18H,3-6,9H2,1-2H3
InChIKeyHCKNFWHXKSCOHT-UHFFFAOYSA-N
XLogP1.92
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
1-(1-cyclopentylpyrazol-3-yl)-3-methoxyhexan-2-ol
CID 116711674
3-(2-chloropropyl)-1-cyclopentylpyrazole
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N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol (CID 103456685) is 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol is CC(C)C(O)C(O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol?
The InChIKey is HCKNFWHXKSCOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)14(18)13(17)9-11-7-8-16(15-11)12-5-3-4-6-12/h7-8,10,12-14,17-18H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol?
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol has a molecular weight of 252.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol is sourced from PubChem (CID 103456685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).