2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid

C17H19N3O4 — CID 119195396

IUPAC2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C17H19N3O4/c1-11-3-6-15(24-2)14(9-11)20-8-7-13(18-20)17(23)19(10-16(21)22)12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,21,22)
InChIKeyYVWSDDBRXAKHBO-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.88
Rot. Bonds6

About 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid

2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 119195396) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
PubChem CID119195396
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C17H19N3O4/c1-11-3-6-15(24-2)14(9-11)20-8-7-13(18-20)17(23)19(10-16(21)22)12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,21,22)
InChIKeyYVWSDDBRXAKHBO-UHFFFAOYSA-N
XLogP1.88
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 126791869
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 119209514
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119194581
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543502
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 120648799
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid (CID 119195396) is 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid is COc1ccc(C)cc1-n1ccc(C(=O)N(CC(=O)O)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is YVWSDDBRXAKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-3-6-15(24-2)14(9-11)20-8-7-13(18-20)17(23)19(10-16(21)22)12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119195396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).