1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol

C16H22N2O2 — CID 105082863

IUPAC1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
SMILESCCn1cc(CC(O)CCOc2cccc(C)c2)cn1
InChIInChI=1S/C16H22N2O2/c1-3-18-12-14(11-17-18)10-15(19)7-8-20-16-6-4-5-13(2)9-16/h4-6,9,11-12,15,19H,3,7-8,10H2,1-2H3
InChIKeyCBCKXRRUKVKLCC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.58
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol

1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol (PubChem CID 105082863) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
PubChem CID105082863
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
SMILESCCn1cc(CC(O)CCOc2cccc(C)c2)cn1
InChIInChI=1S/C16H22N2O2/c1-3-18-12-14(11-17-18)10-15(19)7-8-20-16-6-4-5-13(2)9-16/h4-6,9,11-12,15,19H,3,7-8,10H2,1-2H3
InChIKeyCBCKXRRUKVKLCC-UHFFFAOYSA-N
XLogP2.58
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
1-(5-bromo-3-pyridinyl)-4-(3-methylphenoxy)butan-2-ol
CID 105126440
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825
4-(3-methylphenoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107906
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
CID 79436089
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol (CID 105082863) is 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol is CCn1cc(CC(O)CCOc2cccc(C)c2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol?
The InChIKey is CBCKXRRUKVKLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18-12-14(11-17-18)10-15(19)7-8-20-16-6-4-5-13(2)9-16/h4-6,9,11-12,15,19H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol?
1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol is sourced from PubChem (CID 105082863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).