(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide

C19H26N4O2 — CID 138025188

IUPAC(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1nn(C)cc1NC(=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H26N4O2/c1-13(2)18-16(11-22(3)21-18)20-19(25)23-10-15(17(24)12-23)9-14-7-5-4-6-8-14/h4-8,11,13,15,17,24H,9-10,12H2,1-3H3,(H,20,25)/t15-,17-/m1/s1
InChIKeyNBTVNQLQJFFDSK-NVXWUHKLSA-N
MW342.44 g/mol
LogP2.61
Rot. Bonds4

About (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide

(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 138025188) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID138025188
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1nn(C)cc1NC(=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H26N4O2/c1-13(2)18-16(11-22(3)21-18)20-19(25)23-10-15(17(24)12-23)9-14-7-5-4-6-8-14/h4-8,11,13,15,17,24H,9-10,12H2,1-3H3,(H,20,25)/t15-,17-/m1/s1
InChIKeyNBTVNQLQJFFDSK-NVXWUHKLSA-N
XLogP2.61
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-benzyl-N-(1-tert-butyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidine-1-carboxamide
CID 138028201
(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide
CID 154781982
(3R,4S)-3-benzyl-N-[2-(difluoromethoxy)-4-pyridinyl]-4-hydroxypyrrolidine-1-carboxamide
CID 167978397
1-[(1,3-dimethylpyrazol-4-yl)carbamoyl]azetidine-3-carboxylic acid
CID 102806633
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 114262609
1-[(1-methyl-3-phenylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088712
(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128987227
3-[(2-bromophenyl)methyl]-N-(3-cyclopropyl-1-methylpyrazol-4-yl)azetidine-1-carboxamide
CID 136555091
N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 136587839
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
(2S)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124886957

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 138025188) is (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide is CC(C)c1nn(C)cc1NC(=O)N1C[C@@H](Cc2ccccc2)[C@H](O)C1.
What is the InChIKey of (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is NBTVNQLQJFFDSK-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)18-16(11-22(3)21-18)20-19(25)23-10-15(17(24)12-23)9-14-7-5-4-6-8-14/h4-8,11,13,15,17,24H,9-10,12H2,1-3H3,(H,20,25)/t15-,17-/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138025188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).