4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol

C16H22N2O2 — CID 103028464

IUPAC4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N2O2/c1-16(2,20-3)10-9-15(19)13-11-17-18(12-13)14-7-5-4-6-8-14/h4-8,11-12,15,19H,9-10H2,1-3H3
InChIKeyHTNCOTUPFNCESM-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.11
Rot. Bonds6

About 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol

4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol (PubChem CID 103028464) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol
PubChem CID103028464
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N2O2/c1-16(2,20-3)10-9-15(19)13-11-17-18(12-13)14-7-5-4-6-8-14/h4-8,11-12,15,19H,9-10H2,1-3H3
InChIKeyHTNCOTUPFNCESM-UHFFFAOYSA-N
XLogP3.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210161
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
CID 63895964
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089136
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 29059511
methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 43147874

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol (CID 103028464) is 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol is COC(C)(C)CCC(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol?
The InChIKey is HTNCOTUPFNCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,20-3)10-9-15(19)13-11-17-18(12-13)14-7-5-4-6-8-14/h4-8,11-12,15,19H,9-10H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol?
4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 103028464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).