2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid

C11H15N3O3 — CID 54945892

IUPAC2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H15N3O3/c1-6-10(7(2)13-12-6)11(17)14(5-9(15)16)8-3-4-8/h8H,3-5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyWYMQKCQNBJFZER-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.72
Rot. Bonds4

About 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid

2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid (PubChem CID 54945892) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid
PubChem CID54945892
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESCc1n[nH]c(C)c1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H15N3O3/c1-6-10(7(2)13-12-6)11(17)14(5-9(15)16)8-3-4-8/h8H,3-5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyWYMQKCQNBJFZER-UHFFFAOYSA-N
XLogP0.72
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid (CID 54945892) is 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid is Cc1n[nH]c(C)c1C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is WYMQKCQNBJFZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-10(7(2)13-12-6)11(17)14(5-9(15)16)8-3-4-8/h8H,3-5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 54945892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).