5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide

C20H19N7O — CID 121020006

IUPAC5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cc(-c3cnccn3)nn2C)cnn1-c1ccccc1
InChIInChI=1S/C20H19N7O/c1-14-17(12-24-27(14)15-6-4-3-5-7-15)20(28)23-11-16-10-18(25-26(16)2)19-13-21-8-9-22-19/h3-10,12-13H,11H2,1-2H3,(H,23,28)
InChIKeyJWMQNYBFKOZIMC-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.30
Rot. Bonds5

About 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide

5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 121020006) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID121020006
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cc(-c3cnccn3)nn2C)cnn1-c1ccccc1
InChIInChI=1S/C20H19N7O/c1-14-17(12-24-27(14)15-6-4-3-5-7-15)20(28)23-11-16-10-18(25-26(16)2)19-13-21-8-9-22-19/h3-10,12-13H,11H2,1-2H3,(H,23,28)
InChIKeyJWMQNYBFKOZIMC-UHFFFAOYSA-N
XLogP2.30
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide (CID 121020006) is 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cc(-c3cnccn3)nn2C)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is JWMQNYBFKOZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-14-17(12-24-27(14)15-6-4-3-5-7-15)20(28)23-11-16-10-18(25-26(16)2)19-13-21-8-9-22-19/h3-10,12-13H,11H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 121020006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).