1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide

C21H26N8O2 — CID 167882579

IUPAC1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCNC(=O)CN(Cc1nc(-c2ccccn2)n[nH]1)C(=O)c1cc(C)n(C(C)C2CC2)n1
InChIInChI=1S/C21H26N8O2/c1-13-10-17(27-29(13)14(2)15-7-8-15)21(31)28(12-19(30)22-3)11-18-24-20(26-25-18)16-6-4-5-9-23-16/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,22,30)(H,24,25,26)
InChIKeyDCCJCMIONOYKQS-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.73
Rot. Bonds8

About 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide

1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 167882579) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID167882579
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCNC(=O)CN(Cc1nc(-c2ccccn2)n[nH]1)C(=O)c1cc(C)n(C(C)C2CC2)n1
InChIInChI=1S/C21H26N8O2/c1-13-10-17(27-29(13)14(2)15-7-8-15)21(31)28(12-19(30)22-3)11-18-24-20(26-25-18)16-6-4-5-9-23-16/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,22,30)(H,24,25,26)
InChIKeyDCCJCMIONOYKQS-UHFFFAOYSA-N
XLogP1.73
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide (CID 167882579) is 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide is CNC(=O)CN(Cc1nc(-c2ccccn2)n[nH]1)C(=O)c1cc(C)n(C(C)C2CC2)n1.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is DCCJCMIONOYKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-13-10-17(27-29(13)14(2)15-7-8-15)21(31)28(12-19(30)22-3)11-18-24-20(26-25-18)16-6-4-5-9-23-16/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,22,30)(H,24,25,26).
What are the key properties of 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide?
1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-methyl-N-[2-(methylamino)-2-oxoethyl]-N-[(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167882579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).