N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H34N4O — CID 94119173

IUPACN-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC[C@@H](C1CCCCC1)N(C)C
InChIInChI=1S/C19H34N4O/c1-14-17(15(2)23(5)21-14)11-12-19(24)20-13-18(22(3)4)16-9-7-6-8-10-16/h16,18H,6-13H2,1-5H3,(H,20,24)/t18-/m0/s1
InChIKeyWVCZBJCCVMLEBG-SFHVURJKSA-N
MW334.51 g/mol
LogP2.60
Rot. Bonds7

About N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94119173) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94119173
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC[C@@H](C1CCCCC1)N(C)C
InChIInChI=1S/C19H34N4O/c1-14-17(15(2)23(5)21-14)11-12-19(24)20-13-18(22(3)4)16-9-7-6-8-10-16/h16,18H,6-13H2,1-5H3,(H,20,24)/t18-/m0/s1
InChIKeyWVCZBJCCVMLEBG-SFHVURJKSA-N
XLogP2.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119620409
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796499
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951980
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
1-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544534
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55802204
N-(2-hydroxycyclohexyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 102634893

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94119173) is N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](C1CCCCC1)N(C)C.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is WVCZBJCCVMLEBG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H34N4O/c1-14-17(15(2)23(5)21-14)11-12-19(24)20-13-18(22(3)4)16-9-7-6-8-10-16/h16,18H,6-13H2,1-5H3,(H,20,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 334.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94119173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).