N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide

C19H27N5O2 — CID 118792786

IUPACN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCOc1ccccc1-n1cc(CNC(=O)CN(C)C2CCNCC2)cn1
InChIInChI=1S/C19H27N5O2/c1-23(16-7-9-20-10-8-16)14-19(25)21-11-15-12-22-24(13-15)17-5-3-4-6-18(17)26-2/h3-6,12-13,16,20H,7-11,14H2,1-2H3,(H,21,25)
InChIKeyRYUYNFRVEZPXBR-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.18
Rot. Bonds7

About N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide

N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 118792786) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID118792786
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCOc1ccccc1-n1cc(CNC(=O)CN(C)C2CCNCC2)cn1
InChIInChI=1S/C19H27N5O2/c1-23(16-7-9-20-10-8-16)14-19(25)21-11-15-12-22-24(13-15)17-5-3-4-6-18(17)26-2/h3-6,12-13,16,20H,7-11,14H2,1-2H3,(H,21,25)
InChIKeyRYUYNFRVEZPXBR-UHFFFAOYSA-N
XLogP1.18
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 42360133
(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438626
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50982847
(9R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125176421
1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 119994189
(2R)-2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 99971690
2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 86284011
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099
(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine
CID 95149374
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154892390

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide (CID 118792786) is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide is COc1ccccc1-n1cc(CNC(=O)CN(C)C2CCNCC2)cn1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is RYUYNFRVEZPXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-23(16-7-9-20-10-8-16)14-19(25)21-11-15-12-22-24(13-15)17-5-3-4-6-18(17)26-2/h3-6,12-13,16,20H,7-11,14H2,1-2H3,(H,21,25).
What are the key properties of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 357.46 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 118792786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).