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

C14H18N4O3 — CID 119220654

IUPAC3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NC(C)CC(=O)O)c2n1
InChIInChI=1S/C14H18N4O3/c1-7-5-9(3)18-13(15-7)12(10(4)17-18)14(21)16-8(2)6-11(19)20/h5,8H,6H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyBFNOYHIXIIHUEJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds4

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

3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid (PubChem CID 119220654) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
PubChem CID119220654
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C)n2nc(C)c(C(=O)NC(C)CC(=O)O)c2n1
InChIInChI=1S/C14H18N4O3/c1-7-5-9(3)18-13(15-7)12(10(4)17-18)14(21)16-8(2)6-11(19)20/h5,8H,6H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyBFNOYHIXIIHUEJ-UHFFFAOYSA-N
XLogP1.25
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.25
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
N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119667120
2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230516
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119254491
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
2-[4-[[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698142
2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167909812
N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167991098
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239928
2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74250478

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid (CID 119220654) is 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid is Cc1cc(C)n2nc(C)c(C(=O)NC(C)CC(=O)O)c2n1.
What is the InChIKey of 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The InChIKey is BFNOYHIXIIHUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7-5-9(3)18-13(15-7)12(10(4)17-18)14(21)16-8(2)6-11(19)20/h5,8H,6H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119220654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).