[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol

C9H15N3O — CID 177364885

IUPAC[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
SMILESCn1nccc1[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C9H15N3O/c1-12-9(4-5-10-12)8-3-2-7(6-13)11-8/h4-5,7-8,11,13H,2-3,6H2,1H3/t7-,8+/m0/s1
InChIKeyDSPRFGNRVMFTRC-JGVFFNPUSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds2

About [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol

[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol (PubChem CID 177364885) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
PubChem CID177364885
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
SMILESCn1nccc1[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C9H15N3O/c1-12-9(4-5-10-12)8-3-2-7(6-13)11-8/h4-5,7-8,11,13H,2-3,6H2,1H3/t7-,8+/m0/s1
InChIKeyDSPRFGNRVMFTRC-JGVFFNPUSA-N
XLogP0.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-{[(2R)-pyrrolidin-2-yl]methyl}-1H-pyrazole
CID 96737048
1-methyl-5-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248067
1-methyl-3-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248069
2-Amino-2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 82418079
2-Amino-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
CID 83884239
2-Amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol
CID 84654620
N-ethyl-4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103216580
4-(2-methylpyrazol-3-yl)-N-propyl-1-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103216585
1,1,1-Trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 107093568
1,1-Difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 107093767
2,2-Difluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-1-ol
CID 107094018
[(2S,4S)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 137876075

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol (CID 177364885) is [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol is Cn1nccc1[C@H]1CC[C@@H](CO)N1.
What is the InChIKey of [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
The InChIKey is DSPRFGNRVMFTRC-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-9(4-5-10-12)8-3-2-7(6-13)11-8/h4-5,7-8,11,13H,2-3,6H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol?
[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 177364885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).