3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol

C17H32N2O — CID 115807945

IUPAC3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
SMILESCCCCC(CC)C(O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H32N2O/c1-5-9-10-14(6-2)17(20)13-15-11-12-19(18-15)16(7-3)8-4/h11-12,14,16-17,20H,5-10,13H2,1-4H3
InChIKeyVAOPKXZQYLUVMU-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.36
Rot. Bonds10

About 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol

3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol (PubChem CID 115807945) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
PubChem CID115807945
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
SMILESCCCCC(CC)C(O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H32N2O/c1-5-9-10-14(6-2)17(20)13-15-11-12-19(18-15)16(7-3)8-4/h11-12,14,16-17,20H,5-10,13H2,1-4H3
InChIKeyVAOPKXZQYLUVMU-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116711297
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979
3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
CID 116713320
1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ylhydrazine
CID 105313398
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
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
CID 106024325
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol?
The IUPAC name of 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol (CID 115807945) is 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol?
The canonical SMILES for 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol is CCCCC(CC)C(O)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol?
The InChIKey is VAOPKXZQYLUVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-9-10-14(6-2)17(20)13-15-11-12-19(18-15)16(7-3)8-4/h11-12,14,16-17,20H,5-10,13H2,1-4H3.
What are the key properties of 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol?
3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol has a molecular weight of 280.46 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol is sourced from PubChem (CID 115807945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).