ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate

C16H25N3O2 — CID 64778071

IUPACethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-2-21-16(20)15-8-5-10-18(15)12-13-9-11-19(17-13)14-6-3-4-7-14/h9,11,14-15H,2-8,10,12H2,1H3
InChIKeyWVJYQZUUIYZJBL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.53
Rot. Bonds5

About ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate

ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 64778071) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID64778071
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nameethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-2-21-16(20)15-8-5-10-18(15)12-13-9-11-19(17-13)14-6-3-4-7-14/h9,11,14-15H,2-8,10,12H2,1H3
InChIKeyWVJYQZUUIYZJBL-UHFFFAOYSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl (2S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
CID 124545322
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62895670
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate
CID 115539286
ethyl 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62892694
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 64785538

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate (CID 64778071) is ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is WVJYQZUUIYZJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-16(20)15-8-5-10-18(15)12-13-9-11-19(17-13)14-6-3-4-7-14/h9,11,14-15H,2-8,10,12H2,1H3.
What are the key properties of ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate?
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 64778071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).