[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate

C14H20N4O4 — CID 46428855

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate
SMILESCC(OC(=O)c1ccn[nH]1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H20N4O4/c1-9(22-13(20)11-7-8-15-18-11)12(19)17-14(21)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,18)(H2,16,17,19,21)
InChIKeyOEYJKDSDKBUBGE-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.11
Rot. Bonds4

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate (PubChem CID 46428855) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate
PubChem CID46428855
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate
SMILESCC(OC(=O)c1ccn[nH]1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H20N4O4/c1-9(22-13(20)11-7-8-15-18-11)12(19)17-14(21)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,18)(H2,16,17,19,21)
InChIKeyOEYJKDSDKBUBGE-UHFFFAOYSA-N
XLogP1.11
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 9382185
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373032
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373033
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7749163
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 46790726
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 8021667
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 43031206
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 55358871

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate (CID 46428855) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate is CC(OC(=O)c1ccn[nH]1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate?
The InChIKey is OEYJKDSDKBUBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-9(22-13(20)11-7-8-15-18-11)12(19)17-14(21)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,18)(H2,16,17,19,21).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 46428855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).