(2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C17H25ClN6O2 — CID 56718099

IUPAC(2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2C[C@H](N)C[C@H]2C(=O)NC(C)C)no1
InChIInChI=1S/C17H25ClN6O2/c1-9(2)20-17(25)14-6-11(19)7-24(14)8-12-15(21-23(4)16(12)18)13-5-10(3)26-22-13/h5,9,11,14H,6-8,19H2,1-4H3,(H,20,25)/t11-,14+/m1/s1
InChIKeyYEUQYSRQDPQCOS-RISCZKNCSA-N
MW380.88 g/mol
LogP1.46
Rot. Bonds5

About (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56718099) has the molecular formula C17H25ClN6O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56718099
Molecular FormulaC17H25ClN6O2
Molecular Weight380.88 g/mol
Exact Mass380.17
IUPAC Name(2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2C[C@H](N)C[C@H]2C(=O)NC(C)C)no1
InChIInChI=1S/C17H25ClN6O2/c1-9(2)20-17(25)14-6-11(19)7-24(14)8-12-15(21-23(4)16(12)18)13-5-10(3)26-22-13/h5,9,11,14H,6-8,19H2,1-4H3,(H,20,25)/t11-,14+/m1/s1
InChIKeyYEUQYSRQDPQCOS-RISCZKNCSA-N
XLogP1.46
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-(3-methylbutyl)pyrrolidin-3-amine
CID 166083457
N-benzyl-1-[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 166083533
(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56720115
N-[[1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]-3,3-dimethylbutan-1-amine
CID 166083433
3-[5-chloro-4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 131941768
(3R)-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95872677
3-[5-chloro-4-[[9-(3,3-dimethylbutyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083536
3-[5-chloro-4-[[2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083687
3-[5-chloro-1-methyl-4-[[2-(2-phenylethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083689
3-[4-[[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloro-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole;dihydrochloride
CID 154917382
(2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56708275
N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 74249557

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56718099) is (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1cc(-c2nn(C)c(Cl)c2CN2C[C@H](N)C[C@H]2C(=O)NC(C)C)no1.
What is the InChIKey of (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is YEUQYSRQDPQCOS-RISCZKNCSA-N. The full InChI is InChI=1S/C17H25ClN6O2/c1-9(2)20-17(25)14-6-11(19)7-24(14)8-12-15(21-23(4)16(12)18)13-5-10(3)26-22-13/h5,9,11,14H,6-8,19H2,1-4H3,(H,20,25)/t11-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56718099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).