3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C13H14F3N5O — CID 154843532

IUPAC3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(F)(F)F)cc1C(=O)N[C@H](C)c1cnccn1
InChIInChI=1S/C13H14F3N5O/c1-8-10(6-21(20-8)7-13(14,15)16)12(22)19-9(2)11-5-17-3-4-18-11/h3-6,9H,7H2,1-2H3,(H,19,22)/t9-/m1/s1
InChIKeyMSQMSKIUKYKLGW-SECBINFHSA-N
MW313.28 g/mol
LogP2.03
Rot. Bonds4

About 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 154843532) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID154843532
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(F)(F)F)cc1C(=O)N[C@H](C)c1cnccn1
InChIInChI=1S/C13H14F3N5O/c1-8-10(6-21(20-8)7-13(14,15)16)12(22)19-9(2)11-5-17-3-4-18-11/h3-6,9H,7H2,1-2H3,(H,19,22)/t9-/m1/s1
InChIKeyMSQMSKIUKYKLGW-SECBINFHSA-N
XLogP2.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 154843532) is 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1nn(CC(F)(F)F)cc1C(=O)N[C@H](C)c1cnccn1.
What is the InChIKey of 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is MSQMSKIUKYKLGW-SECBINFHSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-8-10(6-21(20-8)7-13(14,15)16)12(22)19-9(2)11-5-17-3-4-18-11/h3-6,9H,7H2,1-2H3,(H,19,22)/t9-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154843532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).