3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

C16H19N7O2 — CID 146381624

IUPAC3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24)
InChIKeyXCGWZOOSJWALQR-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.92
Rot. Bonds5

About 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381624) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381624
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24)
InChIKeyXCGWZOOSJWALQR-UHFFFAOYSA-N
XLogP1.92
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 146381624) is 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is XCGWZOOSJWALQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24).
What are the key properties of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).