2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C21H26N6O — CID 24790071

IUPAC2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C21H26N6O/c1-16-5-3-4-6-19(16)21(28)24-20-7-10-22-27(20)18-8-11-26(12-9-18)15-17-13-23-25(2)14-17/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,28)
InChIKeyIMZQHOWAINHXIU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24790071) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24790071
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C21H26N6O/c1-16-5-3-4-6-19(16)21(28)24-20-7-10-22-27(20)18-8-11-26(12-9-18)15-17-13-23-25(2)14-17/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,28)
InChIKeyIMZQHOWAINHXIU-UHFFFAOYSA-N
XLogP3.01
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
Cyclopenta[a]fluorene-4,10-dione, 1-phenyl-5,5a-dihydro-1H-1,2,5,10a-tetraaza-
CID 661148
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
Gsk-5498A
CID 46945384
5-amino-1-butyl-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52942431
1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283623
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560322
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]acetamide
CID 118560423
N-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 145962997
Smo-IN-2
CID 147359459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24790071) is 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is IMZQHOWAINHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16-5-3-4-6-19(16)21(28)24-20-7-10-22-27(20)18-8-11-26(12-9-18)15-17-13-23-25(2)14-17/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,28).
What are the key properties of 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24790071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).