(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone

C18H17N5O3 — CID 92575873

IUPAC(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESNc1c(C(=O)[C@H]2CCCN2C(=O)c2ccno2)cnn1-c1ccccc1
InChIInChI=1S/C18H17N5O3/c19-17-13(11-20-23(17)12-5-2-1-3-6-12)16(24)14-7-4-10-22(14)18(25)15-8-9-21-26-15/h1-3,5-6,8-9,11,14H,4,7,10,19H2/t14-/m1/s1
InChIKeyNBMLTJUKAWCWQY-CQSZACIVSA-N
MW351.37 g/mol
LogP1.93
Rot. Bonds4

About (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone

(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 92575873) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID92575873
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESNc1c(C(=O)[C@H]2CCCN2C(=O)c2ccno2)cnn1-c1ccccc1
InChIInChI=1S/C18H17N5O3/c19-17-13(11-20-23(17)12-5-2-1-3-6-12)16(24)14-7-4-10-22(14)18(25)15-8-9-21-26-15/h1-3,5-6,8-9,11,14H,4,7,10,19H2/t14-/m1/s1
InChIKeyNBMLTJUKAWCWQY-CQSZACIVSA-N
XLogP1.93
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-amino-1-phenylpyrazol-4-yl)-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239808
(5-amino-1-phenylpyrazol-4-yl)-[(2S)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594885
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594883
1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209795
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239831
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[(2R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 92595192
4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 92567066
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558468
[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
1-[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 92585244
5-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 110239841
N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110239838

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone (CID 92575873) is (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone is Nc1c(C(=O)[C@H]2CCCN2C(=O)c2ccno2)cnn1-c1ccccc1.
What is the InChIKey of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is NBMLTJUKAWCWQY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-17-13(11-20-23(17)12-5-2-1-3-6-12)16(24)14-7-4-10-22(14)18(25)15-8-9-21-26-15/h1-3,5-6,8-9,11,14H,4,7,10,19H2/t14-/m1/s1.
What are the key properties of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone?
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 351.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 92575873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).