4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

C18H21F3N4O2 — CID 59173964

IUPAC4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCOCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)14-5-3-13(4-6-14)15-12-16(24-23-15)22-17(26)2-1-7-25-8-10-27-11-9-25/h3-6,12H,1-2,7-11H2,(H2,22,23,24,26)
InChIKeyQHVWHDLOMWSWQT-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.15
Rot. Bonds6

About 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 59173964) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
PubChem CID59173964
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCOCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)14-5-3-13(4-6-14)15-12-16(24-23-15)22-17(26)2-1-7-25-8-10-27-11-9-25/h3-6,12H,1-2,7-11H2,(H2,22,23,24,26)
InChIKeyQHVWHDLOMWSWQT-UHFFFAOYSA-N
XLogP3.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholin-4-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539557
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-4-(dimethylamino)butanamide
CID 6539560
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174010
(E)-N-[[4-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]phenyl]methyl]-4-morpholin-4-ylbut-2-enamide
CID 155168086
(E)-N-[4-[4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]phenyl]-4-morpholin-4-ylbut-2-enamide
CID 155175708
(Z)-N-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 118731076
(E)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 118731091
N-(5-phenyl-1H-pyrazol-3-yl)-5-piperidin-1-ylpentanamide
CID 118735741
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 24997749
5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide
CID 24998044
US10138230, Example F149
CID 122445962
US10138230, Example F180
CID 122445965

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (CID 59173964) is 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is O=C(CCCN1CCOCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1.
What is the InChIKey of 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is QHVWHDLOMWSWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c19-18(20,21)14-5-3-13(4-6-14)15-12-16(24-23-15)22-17(26)2-1-7-25-8-10-27-11-9-25/h3-6,12H,1-2,7-11H2,(H2,22,23,24,26).
What are the key properties of 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide has a molecular weight of 382.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 59173964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).