N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide

C17H17N7O2 — CID 155212371

IUPACN-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C17H17N7O2/c1-11(25)22-13-4-2-3-12(7-13)9-24-10-14(8-21-24)23-17(26)15-16(18)20-6-5-19-15/h2-8,10H,9H2,1H3,(H2,18,20)(H,22,25)(H,23,26)
InChIKeySLJQUPAMZJBJIM-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.51
Rot. Bonds5

About N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide

N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide (PubChem CID 155212371) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
PubChem CID155212371
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C17H17N7O2/c1-11(25)22-13-4-2-3-12(7-13)9-24-10-14(8-21-24)23-17(26)15-16(18)20-6-5-19-15/h2-8,10H,9H2,1H3,(H2,18,20)(H,22,25)(H,23,26)
InChIKeySLJQUPAMZJBJIM-UHFFFAOYSA-N
XLogP1.51
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212808
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155220772
5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
CID 155220646
3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212657
3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide
CID 155712536
3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212408
3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212551
3-amino-N-[1-[[3-chloro-5-(propan-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212378
3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212389
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide?
The IUPAC name of N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide (CID 155212371) is N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide?
The canonical SMILES for N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide is CC(=O)Nc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1.
What is the InChIKey of N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide?
The InChIKey is SLJQUPAMZJBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-11(25)22-13-4-2-3-12(7-13)9-24-10-14(8-21-24)23-17(26)15-16(18)20-6-5-19-15/h2-8,10H,9H2,1H3,(H2,18,20)(H,22,25)(H,23,26).
What are the key properties of N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide?
N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide is sourced from PubChem (CID 155212371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).