N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C16H26N4O2 — CID 136558388

IUPACN-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCC(NC(C)=O)CC2)n(C)n1
InChIInChI=1S/C16H26N4O2/c1-5-12-10-15(20(4)18-12)16(22)19(3)14-8-6-13(7-9-14)17-11(2)21/h10,13-14H,5-9H2,1-4H3,(H,17,21)
InChIKeyPRVPYULCQNMXGP-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds4

About N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 136558388) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID136558388
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCC(NC(C)=O)CC2)n(C)n1
InChIInChI=1S/C16H26N4O2/c1-5-12-10-15(20(4)18-12)16(22)19(3)14-8-6-13(7-9-14)17-11(2)21/h10,13-14H,5-9H2,1-4H3,(H,17,21)
InChIKeyPRVPYULCQNMXGP-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
CID 79120552
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121929
N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121097
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120332
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66184379
N-[4-[ethyl(methyl)amino]cyclohexyl]acetamide
CID 134516968
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66121022

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 136558388) is N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)C2CCC(NC(C)=O)CC2)n(C)n1.
What is the InChIKey of N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is PRVPYULCQNMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-12-10-15(20(4)18-12)16(22)19(3)14-8-6-13(7-9-14)17-11(2)21/h10,13-14H,5-9H2,1-4H3,(H,17,21).
What are the key properties of N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 136558388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).