N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

C22H24FN5O — CID 6626200

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H24FN5O/c23-18-8-4-5-9-21(18)28-14-12-27(13-15-28)11-10-24-22(29)20-16-19(25-26-20)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,29)(H,25,26)
InChIKeyOWXDQOUENFEPNH-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 6626200) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID6626200
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H24FN5O/c23-18-8-4-5-9-21(18)28-14-12-27(13-15-28)11-10-24-22(29)20-16-19(25-26-20)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,29)(H,25,26)
InChIKeyOWXDQOUENFEPNH-UHFFFAOYSA-N
XLogP2.77
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide
CID 69035673
3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 74250613
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121018520
3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53357470
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 6626200) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCCN1CCN(c2ccccc2F)CC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OWXDQOUENFEPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-18-8-4-5-9-21(18)28-14-12-27(13-15-28)11-10-24-22(29)20-16-19(25-26-20)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,29)(H,25,26).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6626200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).