N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

C17H14F3N5O2 — CID 25155173

IUPACN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1
InChIInChI=1S/C17H14F3N5O2/c1-25-12(8-9-22-25)16(26)24-14-7-6-11(15(21)23-14)10-4-2-3-5-13(10)27-17(18,19)20/h2-9H,1H3,(H3,21,23,24,26)
InChIKeyRDOLGSKIVXYBET-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.22
Rot. Bonds4

About N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (PubChem CID 25155173) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
PubChem CID25155173
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1
InChIInChI=1S/C17H14F3N5O2/c1-25-12(8-9-22-25)16(26)24-14-7-6-11(15(21)23-14)10-4-2-3-5-13(10)27-17(18,19)20/h2-9H,1H3,(H3,21,23,24,26)
InChIKeyRDOLGSKIVXYBET-UHFFFAOYSA-N
XLogP3.22
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pf-04531083
CID 57582353
4-N-cyclopropyl-5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414917
4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
CID 165414945
4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414948
5-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414976
4-N-(2-fluoroethyl)-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414990
Pyrazole scaffold, 16
CID 25218470
Pyrazole scaffold, 20
CID 25218471
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]nicotinamide
CID 2810251
N-(4-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3792007
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-2-pyridinyl-1H-pyrazole-3-carboxamide
CID 44448523
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (CID 25155173) is N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1.
What is the InChIKey of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is RDOLGSKIVXYBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-25-12(8-9-22-25)16(26)24-14-7-6-11(15(21)23-14)10-4-2-3-5-13(10)27-17(18,19)20/h2-9H,1H3,(H3,21,23,24,26).
What are the key properties of N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25155173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).