ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate

C14H22N2O2 — CID 90428300

IUPACethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1c1ccnn1C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-18-14(17)12-7-5-6-11(12)13-8-9-15-16(13)10(2)3/h8-12H,4-7H2,1-3H3
InChIKeyICAKWEIMVPWVOU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate

ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate (PubChem CID 90428300) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate
PubChem CID90428300
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1c1ccnn1C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-18-14(17)12-7-5-6-11(12)13-8-9-15-16(13)10(2)3/h8-12H,4-7H2,1-3H3
InChIKeyICAKWEIMVPWVOU-UHFFFAOYSA-N
XLogP2.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-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

rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
Ethyl 4-(2-methylpyrazol-3-yl)butanoate
CID 102523556
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
Ethyl 2-[4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]acetate
CID 167439972
ethyl (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoate
CID 168907655
Ethyl 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoate
CID 168907715
ethyl (2S)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoate
CID 168907764
1-(2-Methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one
CID 103024267
1-Cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103024270
1-Ethoxy-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103024277
6-Ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024279
3-(2-Methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
CID 103024318

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate (CID 90428300) is ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate is CCOC(=O)C1CCCC1c1ccnn1C(C)C.
What is the InChIKey of ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate?
The InChIKey is ICAKWEIMVPWVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-14(17)12-7-5-6-11(12)13-8-9-15-16(13)10(2)3/h8-12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate?
ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 90428300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).