1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C10H8F3N5O — CID 102719609

IUPAC1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cc(C(F)(F)F)cc(N)n2)n1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)5-3-7(14)16-8(4-5)18-2-1-6(17-18)9(15)19/h1-4H,(H2,14,16)(H2,15,19)
InChIKeyOSVHQOCVOBFNKV-UHFFFAOYSA-N
MW271.20 g/mol
LogP0.97
Rot. Bonds2

About 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 102719609) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID102719609
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cc(C(F)(F)F)cc(N)n2)n1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)5-3-7(14)16-8(4-5)18-2-1-6(17-18)9(15)19/h1-4H,(H2,14,16)(H2,15,19)
InChIKeyOSVHQOCVOBFNKV-UHFFFAOYSA-N
XLogP0.97
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 102721196
1-(6-amino-2-methylpyrimidin-4-yl)pyrazole-3-carboxamide
CID 80867928
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 102716274
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide
CID 64781374
1-[4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56508565
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide
CID 64780352
1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
CID 64782843
1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 102721195

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 102719609) is 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2cc(C(F)(F)F)cc(N)n2)n1.
What is the InChIKey of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is OSVHQOCVOBFNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c11-10(12,13)5-3-7(14)16-8(4-5)18-2-1-6(17-18)9(15)19/h1-4H,(H2,14,16)(H2,15,19).
What are the key properties of 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 102719609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).