2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid

C15H25N3O3 — CID 66665490

IUPAC2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid
SMILESCC(CNC(=O)O)C1=NN(CCC2CCCCC2)C(=O)C1
InChIInChI=1S/C15H25N3O3/c1-11(10-16-15(20)21)13-9-14(19)18(17-13)8-7-12-5-3-2-4-6-12/h11-12,16H,2-10H2,1H3,(H,20,21)
InChIKeyPUBFWZHWXDGOFC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.45
Rot. Bonds6

About 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid

2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid (PubChem CID 66665490) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid.

Molecular Properties

Compound Name2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid
PubChem CID66665490
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid
SMILESCC(CNC(=O)O)C1=NN(CCC2CCCCC2)C(=O)C1
InChIInChI=1S/C15H25N3O3/c1-11(10-16-15(20)21)13-9-14(19)18(17-13)8-7-12-5-3-2-4-6-12/h11-12,16H,2-10H2,1H3,(H,20,21)
InChIKeyPUBFWZHWXDGOFC-UHFFFAOYSA-N
XLogP2.45
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexylpropylcarbamic acid
CID 54479876
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
2-(2-cyclohexylethylcarbamoyl)-3-methylbutanoic acid
CID 115186283
[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
CID 69468804
2-(3-cyclohexylpropanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288119
3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106563373
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid?
The IUPAC name of 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid (CID 66665490) is 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid.
What is the SMILES notation for 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid?
The canonical SMILES for 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid is CC(CNC(=O)O)C1=NN(CCC2CCCCC2)C(=O)C1.
What is the InChIKey of 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid?
The InChIKey is PUBFWZHWXDGOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(10-16-15(20)21)13-9-14(19)18(17-13)8-7-12-5-3-2-4-6-12/h11-12,16H,2-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid?
2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid has a molecular weight of 295.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexylethyl)-5-oxo-4H-pyrazol-3-yl]propylcarbamic acid is sourced from PubChem (CID 66665490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).