ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate

C15H25N3O2 — CID 106757624

IUPACethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(C)c2ccnn2C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(19)12-5-7-13(8-6-12)17-11(2)14-9-10-16-18(14)3/h9-13,17H,4-8H2,1-3H3
InChIKeyCBEKTKQPGYAYNZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.19
Rot. Bonds5

About ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate

ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate (PubChem CID 106757624) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate
PubChem CID106757624
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(C)c2ccnn2C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(19)12-5-7-13(8-6-12)17-11(2)14-9-10-16-18(14)3/h9-13,17H,4-8H2,1-3H3
InChIKeyCBEKTKQPGYAYNZ-UHFFFAOYSA-N
XLogP2.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(2-methylpyrazol-3-yl)butanoate
CID 102523556
Ethyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598928
Ethyl 4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 156823436
Ethyl 4-[3-(Difluoromethyl)-1-pyrazolyl]cyclohexanecarboxylate
CID 162379617
methyl (3R)-4-[[(2S)-1-aminopropan-2-yl]-methylamino]-3-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-oxobutanoate
CID 167414666
Methyl 4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 167439870
Ethyl 4-[5-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 150984755
5-amino-5-(1-methyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)pentanoic acid
CID 165484020
Methyl 5-(2-methylpyrazol-3-yl)-2-oxocyclohexane-1-carboxylate
CID 57606686
trans-4-(3,5-Dimethyl-pyrazol-1-yl)-cyclohexanecarboxylic acid ethyl ester
CID 58509431
Ethyl 2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate
CID 89239539
trans-ethyl (1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylate
CID 89261279

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate (CID 106757624) is ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(C)c2ccnn2C)CC1.
What is the InChIKey of ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate?
The InChIKey is CBEKTKQPGYAYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-20-15(19)12-5-7-13(8-6-12)17-11(2)14-9-10-16-18(14)3/h9-13,17H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate?
ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-methylpyrazol-3-yl)ethylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 106757624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).