2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid

C14H17N5O3 — CID 120687319

IUPAC2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCc1ncc(C(=O)Nc2ccn(CC(=O)O)n2)c(C(C)C)n1
InChIInChI=1S/C14H17N5O3/c1-8(2)13-10(6-15-9(3)16-13)14(22)17-11-4-5-19(18-11)7-12(20)21/h4-6,8H,7H2,1-3H3,(H,20,21)(H,17,18,22)
InChIKeyFVGOKZSNURDLOM-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.44
Rot. Bonds5

About 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 120687319) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID120687319
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCc1ncc(C(=O)Nc2ccn(CC(=O)O)n2)c(C(C)C)n1
InChIInChI=1S/C14H17N5O3/c1-8(2)13-10(6-15-9(3)16-13)14(22)17-11-4-5-19(18-11)7-12(20)21/h4-6,8H,7H2,1-3H3,(H,20,21)(H,17,18,22)
InChIKeyFVGOKZSNURDLOM-UHFFFAOYSA-N
XLogP1.44
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 120524695
2-[2-fluoro-4-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]phenyl]acetic acid
CID 122109658
2-[3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230469
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 167878130
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555
2-[3-[(2-benzylsulfanyl-3-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 119230981
3-(2-hydroxyphenyl)-2-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]propanoic acid
CID 138048370
2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120701441
2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 119230593
2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230516

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 120687319) is 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid is Cc1ncc(C(=O)Nc2ccn(CC(=O)O)n2)c(C(C)C)n1.
What is the InChIKey of 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is FVGOKZSNURDLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8(2)13-10(6-15-9(3)16-13)14(22)17-11-4-5-19(18-11)7-12(20)21/h4-6,8H,7H2,1-3H3,(H,20,21)(H,17,18,22).
What are the key properties of 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 120687319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).