1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol

C14H19N3O — CID 114198081

IUPAC1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol
SMILESCC(C)n1nccc1C(O)CCc1cccnc1
InChIInChI=1S/C14H19N3O/c1-11(2)17-13(7-9-16-17)14(18)6-5-12-4-3-8-15-10-12/h3-4,7-11,14,18H,5-6H2,1-2H3
InChIKeySGQBXXKMIXXSNT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.53
Rot. Bonds5

About 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol

1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol (PubChem CID 114198081) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol
PubChem CID114198081
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol
SMILESCC(C)n1nccc1C(O)CCc1cccnc1
InChIInChI=1S/C14H19N3O/c1-11(2)17-13(7-9-16-17)14(18)6-5-12-4-3-8-15-10-12/h3-4,7-11,14,18H,5-6H2,1-2H3
InChIKeySGQBXXKMIXXSNT-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-3-pyridin-3-ylpropan-1-ol
CID 105097267
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105117283
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580
1-(2-fluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105083957
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
CID 79425331
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-pyridin-3-ylpropan-1-ol
CID 105127949

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol?
The IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol (CID 114198081) is 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol is CC(C)n1nccc1C(O)CCc1cccnc1.
What is the InChIKey of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol?
The InChIKey is SGQBXXKMIXXSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17-13(7-9-16-17)14(18)6-5-12-4-3-8-15-10-12/h3-4,7-11,14,18H,5-6H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol?
1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazol-3-yl)-3-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 114198081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).