1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C19H26N4O — CID 86990673

IUPAC1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C19H26N4O/c1-15-5-3-4-10-23(15)13-17-8-6-16(7-9-17)11-20-19(24)18-12-21-22(2)14-18/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,20,24)
InChIKeyRDAKUVUJLSRBBL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.72
Rot. Bonds5

About 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 86990673) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID86990673
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C19H26N4O/c1-15-5-3-4-10-23(15)13-17-8-6-16(7-9-17)11-20-19(24)18-12-21-22(2)14-18/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,20,24)
InChIKeyRDAKUVUJLSRBBL-UHFFFAOYSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46475812
N'-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740911
4-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 46476101
methyl 5-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 55708682
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 87045434
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
2-N,2-N,6-trimethyl-5-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86891529
4-[[4-[(2-methylpiperidin-1-yl)methyl]anilino]methyl]benzoic acid
CID 122029492

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 86990673) is 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is CC1CCCCN1Cc1ccc(CNC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is RDAKUVUJLSRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-5-3-4-10-23(15)13-17-8-6-16(7-9-17)11-20-19(24)18-12-21-22(2)14-18/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86990673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).