1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C19H16F3N5OS — CID 29096590

IUPAC1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)n1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1
InChIInChI=1S/C19H16F3N5OS/c1-11(2)26-9-8-15(24-26)23-17(28)14-10-13-16(19(20,21)22)25-27(18(13)29-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,24,28)
InChIKeyZHAAEPYGBITMFA-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.14
Rot. Bonds4

About 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29096590) has the molecular formula C19H16F3N5OS and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29096590
Molecular FormulaC19H16F3N5OS
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC Name1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)n1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1
InChIInChI=1S/C19H16F3N5OS/c1-11(2)26-9-8-15(24-26)23-17(28)14-10-13-16(19(20,21)22)25-27(18(13)29-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,24,28)
InChIKeyZHAAEPYGBITMFA-UHFFFAOYSA-N
XLogP5.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092214
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44824032
N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092207
N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29096655
N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44823976
1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29096728
(4-methylsulfonylpiperazin-1-yl)-[1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29097932
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 29096778
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29097500

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 29096590) is 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CC(C)n1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1.
What is the InChIKey of 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZHAAEPYGBITMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5OS/c1-11(2)26-9-8-15(24-26)23-17(28)14-10-13-16(19(20,21)22)25-27(18(13)29-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,24,28).
What are the key properties of 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29096590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).