3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol

C17H32N2O2 — CID 116713320

IUPAC3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
SMILESCCOC(C(O)Cc1ccn(C(CC)CC)n1)C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-7-14(8-2)19-11-10-13(18-19)12-15(20)16(21-9-3)17(4,5)6/h10-11,14-16,20H,7-9,12H2,1-6H3
InChIKeyBVMFCESEDWGGGI-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.60
Rot. Bonds8

About 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol

3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol (PubChem CID 116713320) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
PubChem CID116713320
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
SMILESCCOC(C(O)Cc1ccn(C(CC)CC)n1)C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-7-14(8-2)19-11-10-13(18-19)12-15(20)16(21-9-3)17(4,5)6/h10-11,14-16,20H,7-9,12H2,1-6H3
InChIKeyBVMFCESEDWGGGI-UHFFFAOYSA-N
XLogP3.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-propylhexan-2-ol
CID 115808024
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 115807945
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
[3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105271202
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 116717615
3-ethoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726693
3-ethoxy-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116758671
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol?
The IUPAC name of 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol (CID 116713320) is 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol is CCOC(C(O)Cc1ccn(C(CC)CC)n1)C(C)(C)C.
What is the InChIKey of 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol?
The InChIKey is BVMFCESEDWGGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-14(8-2)19-11-10-13(18-19)12-15(20)16(21-9-3)17(4,5)6/h10-11,14-16,20H,7-9,12H2,1-6H3.
What are the key properties of 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol?
3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol has a molecular weight of 296.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol is sourced from PubChem (CID 116713320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).