N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C24H28N4O3 — CID 71839650

IUPACN-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2cc(-c3cccc(OC)c3)n[nH]2)CC1
InChIInChI=1S/C24H28N4O3/c1-3-31-23-10-5-4-9-20(23)25-24(29)28-13-11-17(12-14-28)21-16-22(27-26-21)18-7-6-8-19(15-18)30-2/h4-10,15-17H,3,11-14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyJAMPYRCGWPGHQJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.90
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839650) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839650
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2cc(-c3cccc(OC)c3)n[nH]2)CC1
InChIInChI=1S/C24H28N4O3/c1-3-31-23-10-5-4-9-20(23)25-24(29)28-13-11-17(12-14-28)21-16-22(27-26-21)18-7-6-8-19(15-18)30-2/h4-10,15-17H,3,11-14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyJAMPYRCGWPGHQJ-UHFFFAOYSA-N
XLogP4.90
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 45380476
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 45381939
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 46947635
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68517263
1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68560854
3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 68562824
3-[2-(2-hydroxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 68563409
1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68566531
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68568011
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 71655603
Urea, N-[(3-methoxyphenyl)methyl]-N-methyl-N'-[4-(1H-pyrazol-4-yl)-2-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CID 71651215
1-benzyl-3-[2-(2-hydroxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
CID 118729138

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839650) is N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(c2cc(-c3cccc(OC)c3)n[nH]2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is JAMPYRCGWPGHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-31-23-10-5-4-9-20(23)25-24(29)28-13-11-17(12-14-28)21-16-22(27-26-21)18-7-6-8-19(15-18)30-2/h4-10,15-17H,3,11-14H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).