(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C16H19N3O2 — CID 99698614

IUPAC(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C16H19N3O2/c20-12-15-7-4-8-19(15)16(21)14-9-17-18(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11,15,20H,4,7-8,10,12H2/t15-/m1/s1
InChIKeyURTGJOFGJIZTGP-OAHLLOKOSA-N
MW285.35 g/mol
LogP1.53
Rot. Bonds4

About (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 99698614) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID99698614
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H]1CO
InChIInChI=1S/C16H19N3O2/c20-12-15-7-4-8-19(15)16(21)14-9-17-18(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11,15,20H,4,7-8,10,12H2/t15-/m1/s1
InChIKeyURTGJOFGJIZTGP-OAHLLOKOSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649968
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903
3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578527
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679
(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134705844
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24653748
(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70718443

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 99698614) is (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H]1CO.
What is the InChIKey of (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is URTGJOFGJIZTGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-12-15-7-4-8-19(15)16(21)14-9-17-18(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11,15,20H,4,7-8,10,12H2/t15-/m1/s1.
What are the key properties of (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99698614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).