[(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol

C21H24N4O — CID 110203357

IUPAC[(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol
SMILESCc1ccc(-c2[nH]ncc2CN2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1
InChIInChI=1S/C21H24N4O/c1-15-5-7-16(8-6-15)21-17(10-23-24-21)11-25-12-18(14-26)19(13-25)20-4-2-3-9-22-20/h2-10,18-19,26H,11-14H2,1H3,(H,23,24)/t18-,19+/m0/s1
InChIKeyQDZCRUNPKOVUAJ-RBUKOAKNSA-N
MW348.45 g/mol
LogP2.99
Rot. Bonds5

About [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol

[(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol (PubChem CID 110203357) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol
PubChem CID110203357
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol
SMILESCc1ccc(-c2[nH]ncc2CN2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1
InChIInChI=1S/C21H24N4O/c1-15-5-7-16(8-6-15)21-17(10-23-24-21)11-25-12-18(14-26)19(13-25)20-4-2-3-9-22-20/h2-10,18-19,26H,11-14H2,1H3,(H,23,24)/t18-,19+/m0/s1
InChIKeyQDZCRUNPKOVUAJ-RBUKOAKNSA-N
XLogP2.99
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol (CID 110203357) is [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol is Cc1ccc(-c2[nH]ncc2CN2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1.
What is the InChIKey of [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is QDZCRUNPKOVUAJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-7-16(8-6-15)21-17(10-23-24-21)11-25-12-18(14-26)19(13-25)20-4-2-3-9-22-20/h2-10,18-19,26H,11-14H2,1H3,(H,23,24)/t18-,19+/m0/s1.
What are the key properties of [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol?
[(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 348.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 110203357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).