3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide

C17H16F2N6O — CID 145086057

IUPAC3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCCc1nc(C(=O)NCc2ccc(F)cc2F)c(N)nc1-n1cccn1
InChIInChI=1S/C17H16F2N6O/c1-2-13-16(25-7-3-6-22-25)24-15(20)14(23-13)17(26)21-9-10-4-5-11(18)8-12(10)19/h3-8H,2,9H2,1H3,(H2,20,24)(H,21,26)
InChIKeyMYMVLHAFUOHKLY-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.02
Rot. Bonds5

About 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide

3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide (PubChem CID 145086057) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide
PubChem CID145086057
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCCc1nc(C(=O)NCc2ccc(F)cc2F)c(N)nc1-n1cccn1
InChIInChI=1S/C17H16F2N6O/c1-2-13-16(25-7-3-6-22-25)24-15(20)14(23-13)17(26)21-9-10-4-5-11(18)8-12(10)19/h3-8H,2,9H2,1H3,(H2,20,24)(H,21,26)
InChIKeyMYMVLHAFUOHKLY-UHFFFAOYSA-N
XLogP2.02
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351240
3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide
CID 121351110
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 55053425
3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
CID 121351050
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300328
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide (CID 145086057) is 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide is CCc1nc(C(=O)NCc2ccc(F)cc2F)c(N)nc1-n1cccn1.
What is the InChIKey of 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide?
The InChIKey is MYMVLHAFUOHKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c1-2-13-16(25-7-3-6-22-25)24-15(20)14(23-13)17(26)21-9-10-4-5-11(18)8-12(10)19/h3-8H,2,9H2,1H3,(H2,20,24)(H,21,26).
What are the key properties of 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide?
3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 145086057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).