N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide

C22H28N6O2 — CID 24816737

IUPACN-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cn(C)nc3C)CC2)cc1
InChIInChI=1S/C22H28N6O2/c1-16-18(14-26(2)25-16)15-27-12-9-19(10-13-27)28-21(8-11-23-28)24-22(29)17-4-6-20(30-3)7-5-17/h4-8,11,14,19H,9-10,12-13,15H2,1-3H3,(H,24,29)
InChIKeyLAZPAJIUGAKLGO-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide

N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide (PubChem CID 24816737) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
PubChem CID24816737
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cn(C)nc3C)CC2)cc1
InChIInChI=1S/C22H28N6O2/c1-16-18(14-26(2)25-16)15-27-12-9-19(10-13-27)28-21(8-11-23-28)24-22(29)17-4-6-20(30-3)7-5-17/h4-8,11,14,19H,9-10,12-13,15H2,1-3H3,(H,24,29)
InChIKeyLAZPAJIUGAKLGO-UHFFFAOYSA-N
XLogP3.02
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]nicotinamide
CID 2810251
3-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3245653
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide (CID 24816737) is N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cn(C)nc3C)CC2)cc1.
What is the InChIKey of N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is LAZPAJIUGAKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16-18(14-26(2)25-16)15-27-12-9-19(10-13-27)28-21(8-11-23-28)24-22(29)17-4-6-20(30-3)7-5-17/h4-8,11,14,19H,9-10,12-13,15H2,1-3H3,(H,24,29).
What are the key properties of N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 408.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 24816737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).