3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide

C19H19F3N6O2 — CID 176503649

IUPAC3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(C)n(CC(=O)Nc2cc(C(=O)Nc3cnn(C)c3)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H19F3N6O2/c1-11-4-12(2)28(26-11)10-17(29)24-15-6-13(5-14(7-15)19(20,21)22)18(30)25-16-8-23-27(3)9-16/h4-9H,10H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyUCYLKLOMICQVSV-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.14
Rot. Bonds5

About 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide

3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 176503649) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID176503649
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(C)n(CC(=O)Nc2cc(C(=O)Nc3cnn(C)c3)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H19F3N6O2/c1-11-4-12(2)28(26-11)10-17(29)24-15-6-13(5-14(7-15)19(20,21)22)18(30)25-16-8-23-27(3)9-16/h4-9H,10H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyUCYLKLOMICQVSV-UHFFFAOYSA-N
XLogP3.14
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
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CID 3299137
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
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CID 3091786
N-[1-[(1S)-3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645544
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
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CID 844489
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CID 4577554
N-(1-benzyl-1H-pyrazol-4-yl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 73292576
2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide
CID 73352182
N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 90036766
N-(1-benzylpyrazol-4-yl)-6,6-difluoro-1,4,5,7-tetrahydroindazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide (CID 176503649) is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide is Cc1cc(C)n(CC(=O)Nc2cc(C(=O)Nc3cnn(C)c3)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is UCYLKLOMICQVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-11-4-12(2)28(26-11)10-17(29)24-15-6-13(5-14(7-15)19(20,21)22)18(30)25-16-8-23-27(3)9-16/h4-9H,10H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide?
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 420.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 176503649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).