cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide

C20H34N4O2 — CID 70756192

IUPACcis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide
SMILESCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)nn(CC)c1C
InChIInChI=1S/C20H34N4O2/c1-5-7-12-21-19(25)16-10-8-9-11-17(16)20(26)22-13-18-14(3)23-24(6-2)15(18)4/h16-17H,5-13H2,1-4H3,(H,21,25)(H,22,26)/t16-,17+/m1/s1
InChIKeySIGUXSRAHIUUHT-SJORKVTESA-N
MW362.52 g/mol
LogP2.86
Rot. Bonds8

About cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide

cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide (PubChem CID 70756192) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide
PubChem CID70756192
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Namecis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide
SMILESCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)nn(CC)c1C
InChIInChI=1S/C20H34N4O2/c1-5-7-12-21-19(25)16-10-8-9-11-17(16)20(26)22-13-18-14(3)23-24(6-2)15(18)4/h16-17H,5-13H2,1-4H3,(H,21,25)(H,22,26)/t16-,17+/m1/s1
InChIKeySIGUXSRAHIUUHT-SJORKVTESA-N
XLogP2.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 39935160
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51097118
2-[(2-cyclohexylacetyl)amino]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 72025607
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
(1R*,2S*)-N-butyl-2-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-azetidinyl]carbonyl}cyclohexanecarboxamide
CID 70729957
N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30757353
N-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]cyclohexanecarboxamide
CID 71808283
N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide
CID 75366196
N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)propanamide
CID 91785657
(1S*,2R*)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxamide
CID 133137767
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide
CID 136523564

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide (CID 70756192) is cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide is CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)nn(CC)c1C.
What is the InChIKey of cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide?
The InChIKey is SIGUXSRAHIUUHT-SJORKVTESA-N. The full InChI is InChI=1S/C20H34N4O2/c1-5-7-12-21-19(25)16-10-8-9-11-17(16)20(26)22-13-18-14(3)23-24(6-2)15(18)4/h16-17H,5-13H2,1-4H3,(H,21,25)(H,22,26)/t16-,17+/m1/s1.
What are the key properties of cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide?
cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide has a molecular weight of 362.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-N-butyl-2-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 70756192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).