[(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol

C17H24N4O — CID 110202785

IUPAC[(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol
SMILESCCn1ncc(CN2C[C@@H](CO)[C@H](c3ccncc3)C2)c1C
InChIInChI=1S/C17H24N4O/c1-3-21-13(2)15(8-19-21)9-20-10-16(12-22)17(11-20)14-4-6-18-7-5-14/h4-8,16-17,22H,3,9-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyOOECNDYTNQGJQY-IRXDYDNUSA-N
MW300.41 g/mol
LogP1.81
Rot. Bonds5

About [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol

[(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol (PubChem CID 110202785) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol
PubChem CID110202785
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol
SMILESCCn1ncc(CN2C[C@@H](CO)[C@H](c3ccncc3)C2)c1C
InChIInChI=1S/C17H24N4O/c1-3-21-13(2)15(8-19-21)9-20-10-16(12-22)17(11-20)14-4-6-18-7-5-14/h4-8,16-17,22H,3,9-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyOOECNDYTNQGJQY-IRXDYDNUSA-N
XLogP1.81
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol (CID 110202785) is [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol is CCn1ncc(CN2C[C@@H](CO)[C@H](c3ccncc3)C2)c1C.
What is the InChIKey of [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol?
The InChIKey is OOECNDYTNQGJQY-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-21-13(2)15(8-19-21)9-20-10-16(12-22)17(11-20)14-4-6-18-7-5-14/h4-8,16-17,22H,3,9-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol?
[(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol has a molecular weight of 300.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-pyridin-4-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 110202785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).