ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate

C15H25N3O2 — CID 79641998

IUPACethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCCC(n2cccn2)C1
InChIInChI=1S/C15H25N3O2/c1-3-9-16-15(14(19)20-4-2)8-5-7-13(12-15)18-11-6-10-17-18/h6,10-11,13,16H,3-5,7-9,12H2,1-2H3
InChIKeyBNSWAVRROSLLGL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.30
Rot. Bonds6

About ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate

ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate (PubChem CID 79641998) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate
PubChem CID79641998
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCCC(n2cccn2)C1
InChIInChI=1S/C15H25N3O2/c1-3-9-16-15(14(19)20-4-2)8-5-7-13(12-15)18-11-6-10-17-18/h6,10-11,13,16H,3-5,7-9,12H2,1-2H3
InChIKeyBNSWAVRROSLLGL-UHFFFAOYSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
ethyl 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79638065
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641995
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate (CID 79641998) is ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate is CCCNC1(C(=O)OCC)CCCC(n2cccn2)C1.
What is the InChIKey of ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate?
The InChIKey is BNSWAVRROSLLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-9-16-15(14(19)20-4-2)8-5-7-13(12-15)18-11-6-10-17-18/h6,10-11,13,16H,3-5,7-9,12H2,1-2H3.
What are the key properties of ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate?
ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 79641998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).