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

C16H16N6O2 — CID 155212469

IUPAC3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C16H16N6O2/c1-24-13-4-2-3-11(7-13)9-22-10-12(8-20-22)21-16(23)14-15(17)19-6-5-18-14/h2-8,10H,9H2,1H3,(H2,17,19)(H,21,23)
InChIKeyWXVMUQPAANPZSK-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.56
Rot. Bonds5

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

3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 155212469) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID155212469
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1
InChIInChI=1S/C16H16N6O2/c1-24-13-4-2-3-11(7-13)9-22-10-12(8-20-22)21-16(23)14-15(17)19-6-5-18-14/h2-8,10H,9H2,1H3,(H2,17,19)(H,21,23)
InChIKeyWXVMUQPAANPZSK-UHFFFAOYSA-N
XLogP1.56
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3-acetamidophenyl)methyl]pyrazol-4-yl]-3-aminopyrazine-2-carboxamide
CID 155212371
3-amino-N-[1-[[3-(2-methylprop-2-enoylamino)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212808
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
CID 155220646
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410156
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 155212469) is 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is COc1cccc(Cn2cc(NC(=O)c3nccnc3N)cn2)c1.
What is the InChIKey of 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is WXVMUQPAANPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-13-4-2-3-11(7-13)9-22-10-12(8-20-22)21-16(23)14-15(17)19-6-5-18-14/h2-8,10H,9H2,1H3,(H2,17,19)(H,21,23).
What are the key properties of 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155212469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).