N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide

C16H15N5O — CID 122162703

IUPACN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
SMILESCn1cc(-c2nccnc2CNC(=O)c2ccccc2)cn1
InChIInChI=1S/C16H15N5O/c1-21-11-13(9-20-21)15-14(17-7-8-18-15)10-19-16(22)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyDWKHYOLWSSQJED-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.81
Rot. Bonds4

About N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide

N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide (PubChem CID 122162703) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
PubChem CID122162703
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
SMILESCn1cc(-c2nccnc2CNC(=O)c2ccccc2)cn1
InChIInChI=1S/C16H15N5O/c1-21-11-13(9-20-21)15-14(17-7-8-18-15)10-19-16(22)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyDWKHYOLWSSQJED-UHFFFAOYSA-N
XLogP1.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122246619
N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
CID 126854250
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide
CID 122162734
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide
CID 122162763
2,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]furan-3-carboxamide
CID 122275217
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide (CID 122162703) is N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide is Cn1cc(-c2nccnc2CNC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
The InChIKey is DWKHYOLWSSQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-11-13(9-20-21)15-14(17-7-8-18-15)10-19-16(22)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,22).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide is sourced from PubChem (CID 122162703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).