N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C25H31N5O2 — CID 92636739

IUPACN-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C25H31N5O2/c1-29-18-22(25(31)27-16-21-7-3-4-8-24(21)32-2)23(28-29)14-19-9-12-30(13-10-19)17-20-6-5-11-26-15-20/h3-8,11,15,18-19H,9-10,12-14,16-17H2,1-2H3,(H,27,31)
InChIKeyNPNILDRRWRGKOY-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.21
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92636739) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92636739
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C25H31N5O2/c1-29-18-22(25(31)27-16-21-7-3-4-8-24(21)32-2)23(28-29)14-19-9-12-30(13-10-19)17-20-6-5-11-26-15-20/h3-8,11,15,18-19H,9-10,12-14,16-17H2,1-2H3,(H,27,31)
InChIKeyNPNILDRRWRGKOY-UHFFFAOYSA-N
XLogP3.21
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92638073
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637598
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636604
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
N-[(2-methoxyphenyl)methyl]-4-oxo-1-(pyridin-3-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199568
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
3-[[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92637664
N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92638162
N-[(2-methoxyphenyl)methyl]-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637848
1-[(3S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400764
3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922
4-[[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 92637692

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92636739) is N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is NPNILDRRWRGKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-29-18-22(25(31)27-16-21-7-3-4-8-24(21)32-2)23(28-29)14-19-9-12-30(13-10-19)17-20-6-5-11-26-15-20/h3-8,11,15,18-19H,9-10,12-14,16-17H2,1-2H3,(H,27,31).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92636739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).