N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H10F3N5O — CID 74250784

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(C(F)(F)F)[nH]n2)cn1
InChIInChI=1S/C11H10F3N5O/c1-6-3-16-7(4-15-6)5-17-10(20)8-2-9(19-18-8)11(12,13)14/h2-4H,5H2,1H3,(H,17,20)(H,18,19)
InChIKeyMMEQSWOECNJAGJ-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.46
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 74250784) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID74250784
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(C(F)(F)F)[nH]n2)cn1
InChIInChI=1S/C11H10F3N5O/c1-6-3-16-7(4-15-6)5-17-10(20)8-2-9(19-18-8)11(12,13)14/h2-4H,5H2,1H3,(H,17,20)(H,18,19)
InChIKeyMMEQSWOECNJAGJ-UHFFFAOYSA-N
XLogP1.46
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-pyrazinecarboxamide
CID 2225214
5-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 47293095
5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 97137537
N-(3-(((3,3,3-trifluoropropyl)amino)carbonyl)-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 11558920
N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 68984465
5-ethyl-4-fluoro-N-pyridin-3-yl-1H-pyrazole-3-carboxamide
CID 134527719
1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262404
1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262679
1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
CID 19264142
1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267822
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19282824
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19283427

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 74250784) is N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1cnc(CNC(=O)c2cc(C(F)(F)F)[nH]n2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MMEQSWOECNJAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-6-3-16-7(4-15-6)5-17-10(20)8-2-9(19-18-8)11(12,13)14/h2-4H,5H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74250784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).