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

C15H14ClN7O — CID 155212551

IUPAC3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1Cl
InChIInChI=1S/C15H14ClN7O/c16-12-9(2-1-3-11(12)17)7-23-8-10(6-21-23)22-15(24)13-14(18)20-5-4-19-13/h1-6,8H,7,17H2,(H2,18,20)(H,22,24)
InChIKeyHWNUSXXAANQVGP-UHFFFAOYSA-N
MW343.78 g/mol
LogP1.79
Rot. Bonds4

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

3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 155212551) has the molecular formula C15H14ClN7O and a molecular weight of 343.78 g/mol. Its IUPAC name is 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID155212551
Molecular FormulaC15H14ClN7O
Molecular Weight343.78 g/mol
Exact Mass343.09
IUPAC Name3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1Cl
InChIInChI=1S/C15H14ClN7O/c16-12-9(2-1-3-11(12)17)7-23-8-10(6-21-23)22-15(24)13-14(18)20-5-4-19-13/h1-6,8H,7,17H2,(H2,18,20)(H,22,24)
InChIKeyHWNUSXXAANQVGP-UHFFFAOYSA-N
XLogP1.79
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155220772
3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212408
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
CID 155212371
3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 53370702
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
CID 155212808
3-amino-N-[1-[[3-chloro-5-(propan-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212378
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-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212389
3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide
CID 155712536

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 155212551) is 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is Nc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1Cl.
What is the InChIKey of 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is HWNUSXXAANQVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O/c16-12-9(2-1-3-11(12)17)7-23-8-10(6-21-23)22-15(24)13-14(18)20-5-4-19-13/h1-6,8H,7,17H2,(H2,18,20)(H,22,24).
What are the key properties of 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 343.78 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155212551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).