6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide

C23H15ClF3N5O2 — CID 118392807

IUPAC6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n(-c3ccccc3)n2)nc1
InChIInChI=1S/C23H15ClF3N5O2/c24-17-10-14(23(25,26)27)7-8-16(17)22(34)30-20-11-19(18-9-6-13(12-29-18)21(28)33)31-32(20)15-4-2-1-3-5-15/h1-12H,(H2,28,33)(H,30,34)
InChIKeyHTLFDPDDWWWQMA-UHFFFAOYSA-N
MW485.85 g/mol
LogP4.96
Rot. Bonds5

About 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide

6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 118392807) has the molecular formula C23H15ClF3N5O2 and a molecular weight of 485.85 g/mol. Its IUPAC name is 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide
PubChem CID118392807
Molecular FormulaC23H15ClF3N5O2
Molecular Weight485.85 g/mol
Exact Mass485.09
IUPAC Name6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n(-c3ccccc3)n2)nc1
InChIInChI=1S/C23H15ClF3N5O2/c24-17-10-14(23(25,26)27)7-8-16(17)22(34)30-20-11-19(18-9-6-13(12-29-18)21(28)33)31-32(20)15-4-2-1-3-5-15/h1-12H,(H2,28,33)(H,30,34)
InChIKeyHTLFDPDDWWWQMA-UHFFFAOYSA-N
XLogP4.96
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.85
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
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CID 118497137
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
N-(3,5-dichloropyridin-4-yl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227397
5H-1-benzazepin-5-ylidene acetamide, 1g
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5H-1-benzazepin-5-ylidene acetamide, 1h
CID 44520858
5H-1-benzazepin-5-ylidene acetamide, 1l
CID 44520862
[2-Chloro-4-(1-methyl-1H-pyrazol-3-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
CID 9931699
1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10298587
N-[4-Chloro-2-methyl-6-[[(1-methylethyl)amino]carbonyl]-phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 11228424
N-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 11511169
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66720101

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide (CID 118392807) is 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide is NC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)n(-c3ccccc3)n2)nc1.
What is the InChIKey of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is HTLFDPDDWWWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O2/c24-17-10-14(23(25,26)27)7-8-16(17)22(34)30-20-11-19(18-9-6-13(12-29-18)21(28)33)31-32(20)15-4-2-1-3-5-15/h1-12H,(H2,28,33)(H,30,34).
What are the key properties of 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide?
6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 485.85 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118392807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).