1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol

C14H19N3O — CID 105082891

IUPAC1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
SMILESCCn1cc(CC(O)CCc2cccnc2)cn1
InChIInChI=1S/C14H19N3O/c1-2-17-11-13(10-16-17)8-14(18)6-5-12-4-3-7-15-9-12/h3-4,7,9-11,14,18H,2,5-6,8H2,1H3
InChIKeyFMHMGQMRAOHVJC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.83
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol

1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol (PubChem CID 105082891) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
PubChem CID105082891
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
SMILESCCn1cc(CC(O)CCc2cccnc2)cn1
InChIInChI=1S/C14H19N3O/c1-2-17-11-13(10-16-17)8-14(18)6-5-12-4-3-7-15-9-12/h3-4,7,9-11,14,18H,2,5-6,8H2,1H3
InChIKeyFMHMGQMRAOHVJC-UHFFFAOYSA-N
XLogP1.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
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CID 116504737
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825
1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
CID 105082863
1-pyridin-3-ylundecan-3-ol
CID 105085819
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanol
CID 62717465

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol (CID 105082891) is 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol is CCn1cc(CC(O)CCc2cccnc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol?
The InChIKey is FMHMGQMRAOHVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-11-13(10-16-17)8-14(18)6-5-12-4-3-7-15-9-12/h3-4,7,9-11,14,18H,2,5-6,8H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol?
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 1.83, 6 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-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 105082891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).