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

C15H13ClN6O — CID 155212451

IUPAC3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClN6O/c16-11-3-1-10(2-4-11)8-22-9-12(7-20-22)21-15(23)13-14(17)19-6-5-18-13/h1-7,9H,8H2,(H2,17,19)(H,21,23)
InChIKeyLPTQAMVYOGSARR-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.21
Rot. Bonds4

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

3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 155212451) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID155212451
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClN6O/c16-11-3-1-10(2-4-11)8-22-9-12(7-20-22)21-15(23)13-14(17)19-6-5-18-13/h1-7,9H,8H2,(H2,17,19)(H,21,23)
InChIKeyLPTQAMVYOGSARR-UHFFFAOYSA-N
XLogP2.21
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
CID 155220646
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-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212551
3-amino-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155220772
N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
CID 155212371
3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212408
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-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212389
3-amino-N-[1-[[3-(2-cyclohexylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212657
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416844
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263842

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 155212451) is 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is LPTQAMVYOGSARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O/c16-11-3-1-10(2-4-11)8-22-9-12(7-20-22)21-15(23)13-14(17)19-6-5-18-13/h1-7,9H,8H2,(H2,17,19)(H,21,23).
What are the key properties of 3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.21, 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-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155212451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).