3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol

C13H17N3O — CID 103008136

IUPAC3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
SMILESCc1ccnc(C(O)CCc2cnn(C)c2)c1
InChIInChI=1S/C13H17N3O/c1-10-5-6-14-12(7-10)13(17)4-3-11-8-15-16(2)9-11/h5-9,13,17H,3-4H2,1-2H3
InChIKeyKSWUPGNEFNHNRG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.79
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol

3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol (PubChem CID 103008136) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
PubChem CID103008136
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
SMILESCc1ccnc(C(O)CCc2cnn(C)c2)c1
InChIInChI=1S/C13H17N3O/c1-10-5-6-14-12(7-10)13(17)4-3-11-8-15-16(2)9-11/h5-9,13,17H,3-4H2,1-2H3
InChIKeyKSWUPGNEFNHNRG-UHFFFAOYSA-N
XLogP1.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027828
(1-methylpyrazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 63839914
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
[3-(1-methylpyrazol-4-yl)-1-(2-methyl-4-pyridinyl)propyl]hydrazine
CID 106756746
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 103008373
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005951
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 114024293
1-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006036
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol (CID 103008136) is 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol is Cc1ccnc(C(O)CCc2cnn(C)c2)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is KSWUPGNEFNHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-5-6-14-12(7-10)13(17)4-3-11-8-15-16(2)9-11/h5-9,13,17H,3-4H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol?
3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 103008136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).