5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide

C26H38N4O2 — CID 44522216

IUPAC5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCN(CC3(c4ccc(OC)cc4)CCCCC3)CC2)c1C
InChIInChI=1S/C26H38N4O2/c1-4-23-19(2)24(29-28-23)25(31)27-21-12-16-30(17-13-21)18-26(14-6-5-7-15-26)20-8-10-22(32-3)11-9-20/h8-11,21H,4-7,12-18H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyKMBCFNRGRNIFIE-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.39
Rot. Bonds7

About 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide

5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 44522216) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID44522216
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCN(CC3(c4ccc(OC)cc4)CCCCC3)CC2)c1C
InChIInChI=1S/C26H38N4O2/c1-4-23-19(2)24(29-28-23)25(31)27-21-12-16-30(17-13-21)18-26(14-6-5-7-15-26)20-8-10-22(32-3)11-9-20/h8-11,21H,4-7,12-18H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyKMBCFNRGRNIFIE-UHFFFAOYSA-N
XLogP4.39
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide (CID 44522216) is 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC2CCN(CC3(c4ccc(OC)cc4)CCCCC3)CC2)c1C.
What is the InChIKey of 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KMBCFNRGRNIFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-4-23-19(2)24(29-28-23)25(31)27-21-12-16-30(17-13-21)18-26(14-6-5-7-15-26)20-8-10-22(32-3)11-9-20/h8-11,21H,4-7,12-18H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 44522216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).