N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide

C23H25FN4O2 — CID 3216057

IUPACN-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccccc1F)N(C(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C23H25FN4O2/c1-4-23(2,3)26-21(29)20(17-12-8-9-13-18(17)24)28(16-10-6-5-7-11-16)22(30)19-14-15-25-27-19/h5-15,20H,4H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyGZWVTRHCASXRSY-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide

N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 3216057) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID3216057
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccccc1F)N(C(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C23H25FN4O2/c1-4-23(2,3)26-21(29)20(17-12-8-9-13-18(17)24)28(16-10-6-5-7-11-16)22(30)19-14-15-25-27-19/h5-15,20H,4H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyGZWVTRHCASXRSY-UHFFFAOYSA-N
XLogP4.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxyanilino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 98101219
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-tert-butyl-2-(2-fluorophenyl)acetamide
CID 3195443
2-[(6-acetyl-1,3-benzodioxol-5-yl)-[2-(benzotriazol-1-yl)acetyl]amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 5199484
N'-[(1S)-1-(2-chlorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N'-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 25318241
N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3221991
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
CID 84746440
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 72934848
N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 3226656
N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63225607

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide (CID 3216057) is N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide is CCC(C)(C)NC(=O)C(c1ccccc1F)N(C(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is GZWVTRHCASXRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-4-23(2,3)26-21(29)20(17-12-8-9-13-18(17)24)28(16-10-6-5-7-11-16)22(30)19-14-15-25-27-19/h5-15,20H,4H2,1-3H3,(H,25,27)(H,26,29).
What are the key properties of N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide?
N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3216057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).