3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide

C10H9ClF3N3O — CID 151388664

IUPAC3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](C1CC1)C(F)(F)F)c1nccnc1Cl
InChIInChI=1S/C10H9ClF3N3O/c11-8-6(15-3-4-16-8)9(18)17-7(5-1-2-5)10(12,13)14/h3-5,7H,1-2H2,(H,17,18)/t7-/m0/s1
InChIKeyOTYRUWVPKUQJJO-ZETCQYMHSA-N
MW279.65 g/mol
LogP2.20
Rot. Bonds3

About 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide

3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide (PubChem CID 151388664) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide
PubChem CID151388664
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](C1CC1)C(F)(F)F)c1nccnc1Cl
InChIInChI=1S/C10H9ClF3N3O/c11-8-6(15-3-4-16-8)9(18)17-7(5-1-2-5)10(12,13)14/h3-5,7H,1-2H2,(H,17,18)/t7-/m0/s1
InChIKeyOTYRUWVPKUQJJO-ZETCQYMHSA-N
XLogP2.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide (CID 151388664) is 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide is O=C(N[C@@H](C1CC1)C(F)(F)F)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide?
The InChIKey is OTYRUWVPKUQJJO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c11-8-6(15-3-4-16-8)9(18)17-7(5-1-2-5)10(12,13)14/h3-5,7H,1-2H2,(H,17,18)/t7-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide?
3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide has a molecular weight of 279.65 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 151388664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).