[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone

C16H19N3O2 — CID 99698360

IUPAC[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C16H19N3O2/c1-12-15(16(21)18-9-5-8-14(18)11-20)10-19(17-12)13-6-3-2-4-7-13/h2-4,6-7,10,14,20H,5,8-9,11H2,1H3/t14-/m1/s1
InChIKeyLVKMARPWZFKATR-CQSZACIVSA-N
MW285.35 g/mol
LogP1.78
Rot. Bonds3

About [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 99698360) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID99698360
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C16H19N3O2/c1-12-15(16(21)18-9-5-8-14(18)11-20)10-19(17-12)13-6-3-2-4-7-13/h2-4,6-7,10,14,20H,5,8-9,11H2,1H3/t14-/m1/s1
InChIKeyLVKMARPWZFKATR-CQSZACIVSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119650742
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903
(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 138035896
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
[2-(hydroxymethyl)azepan-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 114029406
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
CID 97246459

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone (CID 99698360) is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone is Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is LVKMARPWZFKATR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-15(16(21)18-9-5-8-14(18)11-20)10-19(17-12)13-6-3-2-4-7-13/h2-4,6-7,10,14,20H,5,8-9,11H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 99698360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).