ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate

C14H20ClN3O2 — CID 63921670

IUPACethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(Cn1cc(Cl)cn1)(NC1CC1)C1CC1
InChIInChI=1S/C14H20ClN3O2/c1-2-20-13(19)14(10-3-4-10,17-12-5-6-12)9-18-8-11(15)7-16-18/h7-8,10,12,17H,2-6,9H2,1H3
InChIKeyKLVJNHUAVRATLS-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.00
Rot. Bonds7

About ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate

ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate (PubChem CID 63921670) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
PubChem CID63921670
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Nameethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(Cn1cc(Cl)cn1)(NC1CC1)C1CC1
InChIInChI=1S/C14H20ClN3O2/c1-2-20-13(19)14(10-3-4-10,17-12-5-6-12)9-18-8-11(15)7-16-18/h7-8,10,12,17H,2-6,9H2,1H3
InChIKeyKLVJNHUAVRATLS-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 63919318
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64705271
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 63917079
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915943
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63910370
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
methyl 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63919116
3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide
CID 79631561
2-cyclopropyl-2-(cyclopropylamino)-3-pyrazol-1-ylpropanamide
CID 63920489
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64809657

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The IUPAC name of ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate (CID 63921670) is ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate.
What is the SMILES notation for ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The canonical SMILES for ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate is CCOC(=O)C(Cn1cc(Cl)cn1)(NC1CC1)C1CC1.
What is the InChIKey of ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The InChIKey is KLVJNHUAVRATLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-20-13(19)14(10-3-4-10,17-12-5-6-12)9-18-8-11(15)7-16-18/h7-8,10,12,17H,2-6,9H2,1H3.
What are the key properties of ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate has a molecular weight of 297.79 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate is sourced from PubChem (CID 63921670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).