3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide

C18H18F3N5O — CID 46975020

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C18H18F3N5O/c1-11-14(10-26(2)25-11)15-9-16(24-23-15)17(27)22-8-7-12-3-5-13(6-4-12)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyGEXKXXGHQHGYQM-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.11
Rot. Bonds5

About 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide

3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 46975020) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID46975020
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C18H18F3N5O/c1-11-14(10-26(2)25-11)15-9-16(24-23-15)17(27)22-8-7-12-3-5-13(6-4-12)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyGEXKXXGHQHGYQM-UHFFFAOYSA-N
XLogP3.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide
CID 46975029
3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 167936191
3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 46978635
3,4-dimethyl-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
CID 56812407
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 46975017
4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 17442920
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 667010
3-phenyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383723
N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880294
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide (CID 46975020) is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)[nH]n1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GEXKXXGHQHGYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-11-14(10-26(2)25-11)15-9-16(24-23-15)17(27)22-8-7-12-3-5-13(6-4-12)18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46975020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).