2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid

C19H22FN3O3 — CID 122109666

IUPAC2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
SMILESCC(C)Cn1ncc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)c1C1CC1
InChIInChI=1S/C19H22FN3O3/c1-11(2)10-23-18(12-3-4-12)15(9-21-23)19(26)22-14-6-5-13(7-17(24)25)16(20)8-14/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQUNPHGSKWSXMHA-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.43
Rot. Bonds7

About 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid

2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid (PubChem CID 122109666) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
PubChem CID122109666
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
SMILESCC(C)Cn1ncc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)c1C1CC1
InChIInChI=1S/C19H22FN3O3/c1-11(2)10-23-18(12-3-4-12)15(9-21-23)19(26)22-14-6-5-13(7-17(24)25)16(20)8-14/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQUNPHGSKWSXMHA-UHFFFAOYSA-N
XLogP3.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid (CID 122109666) is 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid is CC(C)Cn1ncc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)c1C1CC1.
What is the InChIKey of 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid?
The InChIKey is QUNPHGSKWSXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-11(2)10-23-18(12-3-4-12)15(9-21-23)19(26)22-14-6-5-13(7-17(24)25)16(20)8-14/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid?
2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid has a molecular weight of 359.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 122109666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).