2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid

C19H20N4O3 — CID 119254491

IUPAC2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
InChIInChI=1S/C19H20N4O3/c1-11-9-12(2)23-17(21-11)16(13(3)22-23)18(24)20-10-15(19(25)26)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3,(H,20,24)(H,25,26)
InChIKeyCFNMIBVZHNXEFF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.25
Rot. Bonds5

About 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid

2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (PubChem CID 119254491) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
PubChem CID119254491
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NCC(C(=O)O)c3ccccc3)c2n1
InChIInChI=1S/C19H20N4O3/c1-11-9-12(2)23-17(21-11)16(13(3)22-23)18(24)20-10-15(19(25)26)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3,(H,20,24)(H,25,26)
InChIKeyCFNMIBVZHNXEFF-UHFFFAOYSA-N
XLogP2.25
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 120831089
3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119220654
N-[(2-methoxynaphthalen-1-yl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75404116
2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698142
3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]-2-phenylpropanoic acid
CID 120528822
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74250478
2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119447428
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid (CID 119254491) is 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is Cc1cc(C)n2nc(C)c(C(=O)NCC(C(=O)O)c3ccccc3)c2n1.
What is the InChIKey of 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The InChIKey is CFNMIBVZHNXEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-9-12(2)23-17(21-11)16(13(3)22-23)18(24)20-10-15(19(25)26)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3,(H,20,24)(H,25,26).
What are the key properties of 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid?
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119254491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).