4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one

C18H21F3N4O — CID 71523641

IUPAC4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1cn[nH]c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-16(7-5-15)24-8-10-25(11-9-24)17(26)3-1-2-14-12-22-23-13-14/h4-7,12-13H,1-3,8-11H2,(H,22,23)
InChIKeyZDFDNVGWBKZPGC-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.10
Rot. Bonds5

About 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one

4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one (PubChem CID 71523641) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
PubChem CID71523641
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1cn[nH]c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-16(7-5-15)24-8-10-25(11-9-24)17(26)3-1-2-14-12-22-23-13-14/h4-7,12-13H,1-3,8-11H2,(H,22,23)
InChIKeyZDFDNVGWBKZPGC-UHFFFAOYSA-N
XLogP3.10
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170
5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide
CID 71937057
4-[(2,6-difluorobenzoyl)amino]-N-piperidin-1-ium-4-yl-1H-pyrazole-5-carboxamide
CID 72199394
4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide
CID 72199396

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one (CID 71523641) is 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one is O=C(CCCc1cn[nH]c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
The InChIKey is ZDFDNVGWBKZPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-16(7-5-15)24-8-10-25(11-9-24)17(26)3-1-2-14-12-22-23-13-14/h4-7,12-13H,1-3,8-11H2,(H,22,23).
What are the key properties of 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one?
4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one has a molecular weight of 366.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 71523641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).