(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol

C7H12N2O — CID 177004223

IUPAC(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
SMILESC[C@H](CO)c1ccnn1C
InChIInChI=1S/C7H12N2O/c1-6(5-10)7-3-4-8-9(7)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1
InChIKeyOSSRDBPKZKUSGC-ZCFIWIBFSA-N
MW140.19 g/mol
LogP0.52
Rot. Bonds2

About (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol

(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 177004223) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID177004223
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
SMILESC[C@H](CO)c1ccnn1C
InChIInChI=1S/C7H12N2O/c1-6(5-10)7-3-4-8-9(7)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1
InChIKeyOSSRDBPKZKUSGC-ZCFIWIBFSA-N
XLogP0.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpyrazol-3-yl)pentan-2-one
CID 64719612
1-methyl-5-octan-2-ylpyrazole
CID 135218459
3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 81019413
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354
1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
CID 65134458
3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 81019743
4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol
CID 114554585
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 63960739
2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol
CID 107093949
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269
2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 106758956
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol (CID 177004223) is (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol is C[C@H](CO)c1ccnn1C.
What is the InChIKey of (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is OSSRDBPKZKUSGC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(5-10)7-3-4-8-9(7)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol?
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 177004223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).