N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide

C17H28N4O2 — CID 51090428

IUPACN-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)Cc2c(C)nn(C)c2C)CCCCC1
InChIInChI=1S/C17H28N4O2/c1-5-18-16(23)17(9-7-6-8-10-17)19-15(22)11-14-12(2)20-21(4)13(14)3/h5-11H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyNBIHZVUWSYOSSS-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.53
Rot. Bonds5

About N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide

N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 51090428) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID51090428
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)Cc2c(C)nn(C)c2C)CCCCC1
InChIInChI=1S/C17H28N4O2/c1-5-18-16(23)17(9-7-6-8-10-17)19-15(22)11-14-12(2)20-21(4)13(14)3/h5-11H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyNBIHZVUWSYOSSS-UHFFFAOYSA-N
XLogP1.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62519330
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546386
2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165071
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56808466
N-ethyl-1-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 71894247
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129721
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
1-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544534
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 79036526
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide (CID 51090428) is N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide is CCNC(=O)C1(NC(=O)Cc2c(C)nn(C)c2C)CCCCC1.
What is the InChIKey of N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is NBIHZVUWSYOSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-18-16(23)17(9-7-6-8-10-17)19-15(22)11-14-12(2)20-21(4)13(14)3/h5-11H2,1-4H3,(H,18,23)(H,19,22).
What are the key properties of N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide?
N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 51090428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).