2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid

C14H15N3O3 — CID 19623365

IUPAC2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCN(C(=O)c1ccn(CC(=O)O)n1)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-2-17(11-6-4-3-5-7-11)14(20)12-8-9-16(15-12)10-13(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyYZYPRIUCOCZCTG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.63
Rot. Bonds5

About 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid

2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19623365) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19623365
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCCN(C(=O)c1ccn(CC(=O)O)n1)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-2-17(11-6-4-3-5-7-11)14(20)12-8-9-16(15-12)10-13(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyYZYPRIUCOCZCTG-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19623365) is 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid is CCN(C(=O)c1ccn(CC(=O)O)n1)c1ccccc1.
What is the InChIKey of 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is YZYPRIUCOCZCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17(11-6-4-3-5-7-11)14(20)12-8-9-16(15-12)10-13(18)19/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19623365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).