1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol

C14H26N2O2 — CID 114665013

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
SMILESCCCn1ncc(OC)c1CCC(O)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-6-9-16-11(12(18-5)10-15-16)7-8-13(17)14(2,3)4/h10,13,17H,6-9H2,1-5H3
InChIKeyFHXSCOLGNXDLAP-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol

1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol (PubChem CID 114665013) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
PubChem CID114665013
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
SMILESCCCn1ncc(OC)c1CCC(O)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-6-9-16-11(12(18-5)10-15-16)7-8-13(17)14(2,3)4/h10,13,17H,6-9H2,1-5H3
InChIKeyFHXSCOLGNXDLAP-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-4-methylpentyl)-4-methoxy-1-propylpyrazole
CID 114665454
1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
CID 114663877
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114663919
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
2-[5-(3-chloro-4,4-dimethylpentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665311
1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665007
2-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)butan-1-ol
CID 114645771
2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
CID 114662451
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114643704
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
CID 105130553

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol (CID 114665013) is 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol is CCCn1ncc(OC)c1CCC(O)C(C)(C)C.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is FHXSCOLGNXDLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-9-16-11(12(18-5)10-15-16)7-8-13(17)14(2,3)4/h10,13,17H,6-9H2,1-5H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol?
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 254.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 114665013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).