4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid

C14H18N4O3 — CID 119188230

IUPAC4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
SMILESCc1ccn2ncc(C(=O)NC(CC(C)C)C(=O)O)c2n1
InChIInChI=1S/C14H18N4O3/c1-8(2)6-11(14(20)21)17-13(19)10-7-15-18-5-4-9(3)16-12(10)18/h4-5,7-8,11H,6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRBTDNFGOHHBNPS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.27
Rot. Bonds5

About 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid

4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid (PubChem CID 119188230) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
PubChem CID119188230
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
SMILESCc1ccn2ncc(C(=O)NC(CC(C)C)C(=O)O)c2n1
InChIInChI=1S/C14H18N4O3/c1-8(2)6-11(14(20)21)17-13(19)10-7-15-18-5-4-9(3)16-12(10)18/h4-5,7-8,11H,6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRBTDNFGOHHBNPS-UHFFFAOYSA-N
XLogP1.27
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119211732
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119361432
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363231
(2S)-4-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 119361650
2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 120516086
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136512225
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
2-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82032871

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid (CID 119188230) is 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid is Cc1ccn2ncc(C(=O)NC(CC(C)C)C(=O)O)c2n1.
What is the InChIKey of 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is RBTDNFGOHHBNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8(2)6-11(14(20)21)17-13(19)10-7-15-18-5-4-9(3)16-12(10)18/h4-5,7-8,11H,6H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119188230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).