N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide

C13H14F3N5O — CID 2225214

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnccn1
InChIInChI=1S/C13H14F3N5O/c1-9-7-11(13(14,15)16)20-21(9)6-2-3-19-12(22)10-8-17-4-5-18-10/h4-5,7-8H,2-3,6H2,1H3,(H,19,22)
InChIKeyZZJLRWUJSLMJAU-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.82
Rot. Bonds5

About N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide (PubChem CID 2225214) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
PubChem CID2225214
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnccn1
InChIInChI=1S/C13H14F3N5O/c1-9-7-11(13(14,15)16)20-21(9)6-2-3-19-12(22)10-8-17-4-5-18-10/h4-5,7-8H,2-3,6H2,1H3,(H,19,22)
InChIKeyZZJLRWUJSLMJAU-UHFFFAOYSA-N
XLogP1.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 56779477
1-(2-aminoethyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70705811
1-(2-pyrazinylcarbonyl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-4-piperidinamine dihydrochloride
CID 70737384
N-[(5-methylpyrazin-2-yl)methyl]-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamide
CID 77079761
N-cyclopropyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
CID 67674477
N-cyclobutyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazine-2-carboxamide
CID 67674909
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrazinecarboxamide
CID 34852356
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide
CID 35290408
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-5-carboxamide
CID 56911781
1-(2-aminoethyl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70731263
1-(2-aminoethyl)-N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 70788103
N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 74250784

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide (CID 2225214) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
The InChIKey is ZZJLRWUJSLMJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-9-7-11(13(14,15)16)20-21(9)6-2-3-19-12(22)10-8-17-4-5-18-10/h4-5,7-8H,2-3,6H2,1H3,(H,19,22).
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 2225214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).