4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

C12H22N2O — CID 64777271

IUPAC4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CCC(C)O)n1
InChIInChI=1S/C12H22N2O/c1-4-12(5-2)14-9-8-11(13-14)7-6-10(3)15/h8-10,12,15H,4-7H2,1-3H3
InChIKeyUTPHOPGVRXKPBG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.56
Rot. Bonds6

About 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (PubChem CID 64777271) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
PubChem CID64777271
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CCC(C)O)n1
InChIInChI=1S/C12H22N2O/c1-4-12(5-2)14-9-8-11(13-14)7-6-10(3)15/h8-10,12,15H,4-7H2,1-3H3
InChIKeyUTPHOPGVRXKPBG-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butanoic acid
CID 81008710
N-ethyl-2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-1-amine
CID 64777207
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884

Frequently Asked Questions

What is the IUPAC name of 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (CID 64777271) is 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is CCC(CC)n1ccc(CCC(C)O)n1.
What is the InChIKey of 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The InChIKey is UTPHOPGVRXKPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(5-2)14-9-8-11(13-14)7-6-10(3)15/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 64777271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).