3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol

C14H24N2O — CID 116539988

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
SMILESCCC(C)n1ccc(CC2(C)CCC(O)C2)n1
InChIInChI=1S/C14H24N2O/c1-4-11(2)16-8-6-12(15-16)9-14(3)7-5-13(17)10-14/h6,8,11,13,17H,4-5,7,9-10H2,1-3H3
InChIKeyIDDGPBFPWFZPCO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.95
Rot. Bonds4

About 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol

3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 116539988) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
PubChem CID116539988
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
SMILESCCC(C)n1ccc(CC2(C)CCC(O)C2)n1
InChIInChI=1S/C14H24N2O/c1-4-11(2)16-8-6-12(15-16)9-14(3)7-5-13(17)10-14/h6,8,11,13,17H,4-5,7,9-10H2,1-3H3
InChIKeyIDDGPBFPWFZPCO-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65425655
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194729
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propan-2-yloxan-4-ol
CID 64786024
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol
CID 64783123
8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 64784443
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81116268
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopropylazepane
CID 79118218

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol (CID 116539988) is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol is CCC(C)n1ccc(CC2(C)CCC(O)C2)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is IDDGPBFPWFZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-11(2)16-8-6-12(15-16)9-14(3)7-5-13(17)10-14/h6,8,11,13,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol?
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116539988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).