N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide

C24H28N4O2 — CID 92596753

IUPACN-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-30-21-11-9-18(10-12-21)22-16-23(20-8-5-13-25-17-20)28(27-22)15-14-26-24(29)19-6-3-2-4-7-19/h5,8-13,16-17,19H,2-4,6-7,14-15H2,1H3,(H,26,29)
InChIKeyBETWMTGNMBPAQM-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.32
Rot. Bonds7

About N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide

N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide (PubChem CID 92596753) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
PubChem CID92596753
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-30-21-11-9-18(10-12-21)22-16-23(20-8-5-13-25-17-20)28(27-22)15-14-26-24(29)19-6-3-2-4-7-19/h5,8-13,16-17,19H,2-4,6-7,14-15H2,1H3,(H,26,29)
InChIKeyBETWMTGNMBPAQM-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
CID 92582699
trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 92583705
(3R)-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 92570815
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078990
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 92602574
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92601561
2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
CID 110217969
N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 92600380
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121033606
2-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569655
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 92581052

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide (CID 92596753) is N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide is COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)C3CCCCC3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is BETWMTGNMBPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-21-11-9-18(10-12-21)22-16-23(20-8-5-13-25-17-20)28(27-22)15-14-26-24(29)19-6-3-2-4-7-19/h5,8-13,16-17,19H,2-4,6-7,14-15H2,1H3,(H,26,29).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide?
N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 92596753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).