[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

C19H30N4O4 — CID 46673279

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4O4/c1-12-16(13(2)23(4)22-12)10-11-17(24)27-14(3)18(25)21-19(26)20-15-8-6-5-7-9-15/h14-15H,5-11H2,1-4H3,(H2,20,21,25,26)
InChIKeyRFGTVKNLSTYYCC-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.06
Rot. Bonds6

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (PubChem CID 46673279) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
PubChem CID46673279
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4O4/c1-12-16(13(2)23(4)22-12)10-11-17(24)27-14(3)18(25)21-19(26)20-15-8-6-5-7-9-15/h14-15H,5-11H2,1-4H3,(H2,20,21,25,26)
InChIKeyRFGTVKNLSTYYCC-UHFFFAOYSA-N
XLogP2.06
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 11909809
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553461
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731275
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018744
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 8957185
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 18286036
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709428
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (CID 46673279) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is Cc1nn(C)c(C)c1CCC(=O)OC(C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The InChIKey is RFGTVKNLSTYYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-12-16(13(2)23(4)22-12)10-11-17(24)27-14(3)18(25)21-19(26)20-15-8-6-5-7-9-15/h14-15H,5-11H2,1-4H3,(H2,20,21,25,26).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate has a molecular weight of 378.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 46673279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).