N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide

C18H30N4O2 — CID 134712989

IUPACN'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide
SMILESCCc1nn(C)c(NC(=O)CCC(=O)N(C)C2CCCCC2)c1C
InChIInChI=1S/C18H30N4O2/c1-5-15-13(2)18(22(4)20-15)19-16(23)11-12-17(24)21(3)14-9-7-6-8-10-14/h14H,5-12H2,1-4H3,(H,19,23)
InChIKeyNLJAXONFUSZSCL-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.80
Rot. Bonds6

About N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide

N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide (PubChem CID 134712989) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide
PubChem CID134712989
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide
SMILESCCc1nn(C)c(NC(=O)CCC(=O)N(C)C2CCCCC2)c1C
InChIInChI=1S/C18H30N4O2/c1-5-15-13(2)18(22(4)20-15)19-16(23)11-12-17(24)21(3)14-9-7-6-8-10-14/h14H,5-12H2,1-4H3,(H,19,23)
InChIKeyNLJAXONFUSZSCL-UHFFFAOYSA-N
XLogP2.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104977
1-[4-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104980
N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105188
N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105189
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105444
3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide
CID 51105446
4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539239
N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 53540365
3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide;hydrochloride
CID 51105445
(2S)-2-amino-2-cyclohexyl-N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)acetamide hydrochloride
CID 132418130
(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164636539

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide?
The IUPAC name of N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide (CID 134712989) is N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide.
What is the SMILES notation for N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide?
The canonical SMILES for N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide is CCc1nn(C)c(NC(=O)CCC(=O)N(C)C2CCCCC2)c1C.
What is the InChIKey of N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide?
The InChIKey is NLJAXONFUSZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-15-13(2)18(22(4)20-15)19-16(23)11-12-17(24)21(3)14-9-7-6-8-10-14/h14H,5-12H2,1-4H3,(H,19,23).
What are the key properties of N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide?
N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide has a molecular weight of 334.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-N'-methylbutanediamide is sourced from PubChem (CID 134712989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).