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

C14H26N2O — CID 64777467

IUPAC3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
SMILESCCC(Cc1ccn(C(CC)CC)n1)C(C)O
InChIInChI=1S/C14H26N2O/c1-5-12(11(4)17)10-13-8-9-16(15-13)14(6-2)7-3/h8-9,11-12,14,17H,5-7,10H2,1-4H3
InChIKeyDZEUMQRJJNIJRW-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds7

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

3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol (PubChem CID 64777467) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
PubChem CID64777467
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
SMILESCCC(Cc1ccn(C(CC)CC)n1)C(C)O
InChIInChI=1S/C14H26N2O/c1-5-12(11(4)17)10-13-8-9-16(15-13)14(6-2)7-3/h8-9,11-12,14,17H,5-7,10H2,1-4H3
InChIKeyDZEUMQRJJNIJRW-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.19
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
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 115807945
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol?
The IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol (CID 64777467) is 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol.
What is the SMILES notation for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol?
The canonical SMILES for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol is CCC(Cc1ccn(C(CC)CC)n1)C(C)O.
What is the InChIKey of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol?
The InChIKey is DZEUMQRJJNIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-12(11(4)17)10-13-8-9-16(15-13)14(6-2)7-3/h8-9,11-12,14,17H,5-7,10H2,1-4H3.
What are the key properties of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol?
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol is sourced from PubChem (CID 64777467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).