[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol

C9H15N3O — CID 86767710

IUPAC[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCn1cc([C@@H]2CNC[C@H]2CO)cn1
InChIInChI=1S/C9H15N3O/c1-12-5-7(3-11-12)9-4-10-2-8(9)6-13/h3,5,8-10,13H,2,4,6H2,1H3/t8-,9-/m0/s1
InChIKeyWFBVMUXMTBDJRB-IUCAKERBSA-N
MW181.24 g/mol
LogP-0.28
Rot. Bonds2

About [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol

[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 86767710) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
PubChem CID86767710
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
SMILESCn1cc([C@@H]2CNC[C@H]2CO)cn1
InChIInChI=1S/C9H15N3O/c1-12-5-7(3-11-12)9-4-10-2-8(9)6-13/h3,5,8-10,13H,2,4,6H2,1H3/t8-,9-/m0/s1
InChIKeyWFBVMUXMTBDJRB-IUCAKERBSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120857534
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(3R,4S)-N-[(2-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927889
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120916885
[(3S,4R)-1-butylsulfonyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 128996429
[(3S,4R)-1-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581540
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
CID 79321270
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
[(3S,4R)-1-[[4-(hydroxymethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581535
[(3S,4R)-4-(4-bromophenyl)pyrrolidin-3-yl]methanol
CID 129375178

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol (CID 86767710) is [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol is Cn1cc([C@@H]2CNC[C@H]2CO)cn1.
What is the InChIKey of [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is WFBVMUXMTBDJRB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-5-7(3-11-12)9-4-10-2-8(9)6-13/h3,5,8-10,13H,2,4,6H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol?
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 86767710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).