3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide

C15H12F2N6O — CID 155212408

IUPAC3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnn(Cc2cccc(F)c2F)c1
InChIInChI=1S/C15H12F2N6O/c16-11-3-1-2-9(12(11)17)7-23-8-10(6-21-23)22-15(24)13-14(18)20-5-4-19-13/h1-6,8H,7H2,(H2,18,20)(H,22,24)
InChIKeyZYRKCKBLGBQLEM-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide

3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 155212408) has the molecular formula C15H12F2N6O and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID155212408
Molecular FormulaC15H12F2N6O
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnn(Cc2cccc(F)c2F)c1
InChIInChI=1S/C15H12F2N6O/c16-11-3-1-2-9(12(11)17)7-23-8-10(6-21-23)22-15(24)13-14(18)20-5-4-19-13/h1-6,8H,7H2,(H2,18,20)(H,22,24)
InChIKeyZYRKCKBLGBQLEM-UHFFFAOYSA-N
XLogP1.83
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155220772
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CID 155212551
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
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N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
CID 155212371
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
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3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 53370702
3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212657
3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212389
5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58465073
3-amino-N-[1-[[3-chloro-5-(propan-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212378

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 155212408) is 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cnn(Cc2cccc(F)c2F)c1.
What is the InChIKey of 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is ZYRKCKBLGBQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N6O/c16-11-3-1-2-9(12(11)17)7-23-8-10(6-21-23)22-15(24)13-14(18)20-5-4-19-13/h1-6,8H,7H2,(H2,18,20)(H,22,24).
What are the key properties of 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 330.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155212408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).