[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol

C17H23N3O — CID 51596198

IUPAC[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1c(CN2CC[C@H](CO)C2)cnn1Cc1ccccc1
InChIInChI=1S/C17H23N3O/c1-14-17(12-19-8-7-16(10-19)13-21)9-18-20(14)11-15-5-3-2-4-6-15/h2-6,9,16,21H,7-8,10-13H2,1H3/t16-/m0/s1
InChIKeyOSMQXVRCEJBKQR-INIZCTEOSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds5

About [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol

[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 51596198) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID51596198
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1c(CN2CC[C@H](CO)C2)cnn1Cc1ccccc1
InChIInChI=1S/C17H23N3O/c1-14-17(12-19-8-7-16(10-19)13-21)9-18-20(14)11-15-5-3-2-4-6-15/h2-6,9,16,21H,7-8,10-13H2,1H3/t16-/m0/s1
InChIKeyOSMQXVRCEJBKQR-INIZCTEOSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857221
[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112624443
1-benzyl-3-ethylpyrrolidine
CID 12648208
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
1-benzyl-3-propylpyrrolidine
CID 12648211
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
CID 66438332
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol (CID 51596198) is [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol is Cc1c(CN2CC[C@H](CO)C2)cnn1Cc1ccccc1.
What is the InChIKey of [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is OSMQXVRCEJBKQR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-17(12-19-8-7-16(10-19)13-21)9-18-20(14)11-15-5-3-2-4-6-15/h2-6,9,16,21H,7-8,10-13H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 51596198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).