2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid

C17H19N3O3 — CID 119213639

IUPAC2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
SMILESCc1ccccc1-n1ncc(C(=O)NC(C(=O)O)C2CC2)c1C
InChIInChI=1S/C17H19N3O3/c1-10-5-3-4-6-14(10)20-11(2)13(9-18-20)16(21)19-15(17(22)23)12-7-8-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyGBLRYMJTIBPCNR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.08
Rot. Bonds5

About 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid

2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid (PubChem CID 119213639) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
PubChem CID119213639
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
SMILESCc1ccccc1-n1ncc(C(=O)NC(C(=O)O)C2CC2)c1C
InChIInChI=1S/C17H19N3O3/c1-10-5-3-4-6-14(10)20-11(2)13(9-18-20)16(21)19-15(17(22)23)12-7-8-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyGBLRYMJTIBPCNR-UHFFFAOYSA-N
XLogP2.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
5-methyl-1-(2-methylphenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 55962377
2-cyclopropyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)acetic acid
CID 103790722
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119617665
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24625944
N-[(S)-cyclopropyl(phenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36860846
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid (CID 119213639) is 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid is Cc1ccccc1-n1ncc(C(=O)NC(C(=O)O)C2CC2)c1C.
What is the InChIKey of 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid?
The InChIKey is GBLRYMJTIBPCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-5-3-4-6-14(10)20-11(2)13(9-18-20)16(21)19-15(17(22)23)12-7-8-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid?
2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid has a molecular weight of 313.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119213639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).