5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide

C19H22N6O — CID 166305430

IUPAC5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCc2cnn3c2CNCC3)cc1C
InChIInChI=1S/C19H22N6O/c1-13-5-3-4-6-17(13)25-14(2)9-16(23-25)19(26)21-10-15-11-22-24-8-7-20-12-18(15)24/h3-6,9,11,20H,7-8,10,12H2,1-2H3,(H,21,26)
InChIKeySGUXSOJNBBUZAH-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.72
Rot. Bonds4

About 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide

5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 166305430) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID166305430
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCc2cnn3c2CNCC3)cc1C
InChIInChI=1S/C19H22N6O/c1-13-5-3-4-6-17(13)25-14(2)9-16(23-25)19(26)21-10-15-11-22-24-8-7-20-12-18(15)24/h3-6,9,11,20H,7-8,10,12H2,1-2H3,(H,21,26)
InChIKeySGUXSOJNBBUZAH-UHFFFAOYSA-N
XLogP1.72
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide (CID 166305430) is 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NCc2cnn3c2CNCC3)cc1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is SGUXSOJNBBUZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-5-3-4-6-17(13)25-14(2)9-16(23-25)19(26)21-10-15-11-22-24-8-7-20-12-18(15)24/h3-6,9,11,20H,7-8,10,12H2,1-2H3,(H,21,26).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide?
5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166305430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).