1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide

C19H28N6O — CID 110117406

IUPAC1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)c(C)n1
InChIInChI=1S/C19H28N6O/c1-4-25-13-18(14(2)23-25)19(26)22-12-17-11-20-16(10-21-17)9-15-5-7-24(3)8-6-15/h10-11,13,15H,4-9,12H2,1-3H3,(H,22,26)
InChIKeyMEEZGQYVLBZDBA-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.82
Rot. Bonds6

About 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 110117406) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID110117406
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)c(C)n1
InChIInChI=1S/C19H28N6O/c1-4-25-13-18(14(2)23-25)19(26)22-12-17-11-20-16(10-21-17)9-15-5-7-24(3)8-6-15/h10-11,13,15H,4-9,12H2,1-3H3,(H,22,26)
InChIKeyMEEZGQYVLBZDBA-UHFFFAOYSA-N
XLogP1.82
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-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

Related Compounds

3-(5-Methylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 95845451
(1-Methylpyrazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110250310
(1-Methylpyrazol-4-yl)-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone
CID 110257149
(1,3-Dimethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 110270947
(6S)-8-(1,3-dimethylpyrazole-4-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97286253
3-(piperidin-1-ylcarbonyl)-N-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]pyrazine-2-carboxamide
CID 129610011
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrazinecarboxamide
CID 34852356
3-methyl-N-[(1R)-1-pyrazin-2-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 154843532
3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide
CID 171682306
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-[(4-propyl-1H-1,2,3-triazol-1-yl)methyl]piperidine
CID 46990381
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899
(1,3-Dimethylpyrazol-4-yl)-[4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 110112693

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide (CID 110117406) is 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cnc(CC3CCN(C)CC3)cn2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is MEEZGQYVLBZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-25-13-18(14(2)23-25)19(26)22-12-17-11-20-16(10-21-17)9-15-5-7-24(3)8-6-15/h10-11,13,15H,4-9,12H2,1-3H3,(H,22,26).
What are the key properties of 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110117406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).