1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide

C16H16N6O — CID 126855585

IUPAC1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccnc2-c2cccnc2)nn1C
InChIInChI=1S/C16H16N6O/c1-11-8-13(21-22(11)2)16(23)20-10-14-15(19-7-6-18-14)12-4-3-5-17-9-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyCJLVBFVQCYUQPQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.51
Rot. Bonds4

About 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 126855585) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID126855585
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccnc2-c2cccnc2)nn1C
InChIInChI=1S/C16H16N6O/c1-11-8-13(21-22(11)2)16(23)20-10-14-15(19-7-6-18-14)12-4-3-5-17-9-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyCJLVBFVQCYUQPQ-UHFFFAOYSA-N
XLogP1.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246680
1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide
CID 126854260
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
4-morpholin-4-yl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 126854137
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794826
2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
CID 122246686

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide (CID 126855585) is 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2nccnc2-c2cccnc2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is CJLVBFVQCYUQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-11-8-13(21-22(11)2)16(23)20-10-14-15(19-7-6-18-14)12-4-3-5-17-9-12/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126855585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).