5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

C22H23FN6O2 — CID 95807304

IUPAC5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESNc1c(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cnn1-c1ccccc1
InChIInChI=1S/C22H23FN6O2/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20(30)15-25-22(31)17-14-26-29(21(17)24)16-6-2-1-3-7-16/h1-9,14H,10-13,15,24H2,(H,25,31)
InChIKeyPXMQCMAENFGAEZ-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.67
Rot. Bonds5

About 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 95807304) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID95807304
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESNc1c(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cnn1-c1ccccc1
InChIInChI=1S/C22H23FN6O2/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20(30)15-25-22(31)17-14-26-29(21(17)24)16-6-2-1-3-7-16/h1-9,14H,10-13,15,24H2,(H,25,31)
InChIKeyPXMQCMAENFGAEZ-UHFFFAOYSA-N
XLogP1.67
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 166285161
2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 41337381
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 17451155
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 113097654
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 27905464
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (CID 95807304) is 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is Nc1c(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cnn1-c1ccccc1.
What is the InChIKey of 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is PXMQCMAENFGAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20(30)15-25-22(31)17-14-26-29(21(17)24)16-6-2-1-3-7-16/h1-9,14H,10-13,15,24H2,(H,25,31).
What are the key properties of 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 95807304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).