2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid

C16H17N3O3 — CID 119213678

IUPAC2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H17N3O3/c1-10-13(9-19(18-10)12-5-3-2-4-6-12)15(20)17-14(16(21)22)11-7-8-11/h2-6,9,11,14H,7-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyYAXQJEIEEJGNOG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.77
Rot. Bonds5

About 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 119213678) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID119213678
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C16H17N3O3/c1-10-13(9-19(18-10)12-5-3-2-4-6-12)15(20)17-14(16(21)22)11-7-8-11/h2-6,9,11,14H,7-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyYAXQJEIEEJGNOG-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclopropyl-2-[[1-(4-fluorophenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid
CID 129470152
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521059
(2S)-2-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359973
3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 120521274
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
CID 119213639
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521227
2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119195118

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid (CID 119213678) is 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(-c2ccccc2)cc1C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is YAXQJEIEEJGNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-13(9-19(18-10)12-5-3-2-4-6-12)15(20)17-14(16(21)22)11-7-8-11/h2-6,9,11,14H,7-8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119213678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).