3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

C16H22N6O2 — CID 71786558

IUPAC3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H22N6O2/c1-21-11-13(16(20-21)24-2)15(23)19-9-12-3-7-22(8-4-12)14-10-17-5-6-18-14/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyOWCDCELKNCEHLF-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.87
Rot. Bonds5

About 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 71786558) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID71786558
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H22N6O2/c1-21-11-13(16(20-21)24-2)15(23)19-9-12-3-7-22(8-4-12)14-10-17-5-6-18-14/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyOWCDCELKNCEHLF-UHFFFAOYSA-N
XLogP0.87
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (CID 71786558) is 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is OWCDCELKNCEHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21-11-13(16(20-21)24-2)15(23)19-9-12-3-7-22(8-4-12)14-10-17-5-6-18-14/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,19,23).
What are the key properties of 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71786558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).