2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid

C8H11FN4O3 — CID 154882085

IUPAC2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid
SMILESNC(=O)c1c(NCC(=O)O)cnn1CCF
InChIInChI=1S/C8H11FN4O3/c9-1-2-13-7(8(10)16)5(3-12-13)11-4-6(14)15/h3,11H,1-2,4H2,(H2,10,16)(H,14,15)
InChIKeyHGYAQYZTJJBPLN-UHFFFAOYSA-N
MW230.20 g/mol
LogP-0.55
Rot. Bonds6

About 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid

2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid (PubChem CID 154882085) has the molecular formula C8H11FN4O3 and a molecular weight of 230.20 g/mol. Its IUPAC name is 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid
PubChem CID154882085
Molecular FormulaC8H11FN4O3
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC Name2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid
SMILESNC(=O)c1c(NCC(=O)O)cnn1CCF
InChIInChI=1S/C8H11FN4O3/c9-1-2-13-7(8(10)16)5(3-12-13)11-4-6(14)15/h3,11H,1-2,4H2,(H2,10,16)(H,14,15)
InChIKeyHGYAQYZTJJBPLN-UHFFFAOYSA-N
XLogP-0.55
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide
CID 132586737
4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 132586738
methyl 4-bromo-1-(2-fluoroethyl)pyrazole-5-carboxylate
CID 86208035
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 132586745
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
2-[[4-amino-1-(3-sulfopropyl)pyrazol-5-yl]amino]acetic acid
CID 58914019
2-[[[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]amino]methyl]phenol;hydrochloride
CID 126964065
tert-butyl N-[3-[[5-amino-1-(2-fluoroethyl)pyrazol-4-yl]amino]-3-oxopropyl]carbamate
CID 86593418
[3-[[5-amino-1-(2-fluoroethyl)pyrazol-4-yl]amino]-3-oxopropyl] N-tert-butylcarbamate
CID 91118467
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
CID 126965034

Frequently Asked Questions

What is the IUPAC name of 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid?
The IUPAC name of 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid (CID 154882085) is 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid is NC(=O)c1c(NCC(=O)O)cnn1CCF.
What is the InChIKey of 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid?
The InChIKey is HGYAQYZTJJBPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O3/c9-1-2-13-7(8(10)16)5(3-12-13)11-4-6(14)15/h3,11H,1-2,4H2,(H2,10,16)(H,14,15).
What are the key properties of 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid?
2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid has a molecular weight of 230.20 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-carbamoyl-1-(2-fluoroethyl)pyrazol-4-yl]amino]acetic acid is sourced from PubChem (CID 154882085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).