N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C17H20F3N3O3 — CID 71908614

IUPACN-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)CCCO)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O3/c1-12-15(16(26)22(7-9-25)6-3-8-24)11-21-23(12)14-5-2-4-13(10-14)17(18,19)20/h2,4-5,10-11,24-25H,3,6-9H2,1H3
InChIKeyFGDKCABOVKEUNH-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.02
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 71908614) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID71908614
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC NameN-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)CCCO)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O3/c1-12-15(16(26)22(7-9-25)6-3-8-24)11-21-23(12)14-5-2-4-13(10-14)17(18,19)20/h2,4-5,10-11,24-25H,3,6-9H2,1H3
InChIKeyFGDKCABOVKEUNH-UHFFFAOYSA-N
XLogP2.02
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-ethyl-5-methyl-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55513631
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
2-methyl-2-[methyl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119200825
N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55693687
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30767127
methyl 2-[(2-methylphenyl)methyl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]acetate
CID 47072639
N-(1-ethylpiperidin-4-yl)-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86989029

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 71908614) is N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(CCO)CCCO)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is FGDKCABOVKEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-12-15(16(26)22(7-9-25)6-3-8-24)11-21-23(12)14-5-2-4-13(10-14)17(18,19)20/h2,4-5,10-11,24-25H,3,6-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71908614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).