5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate

C20H28N4O4 — CID 162018519

IUPAC5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)[nH]n1.O=C(O)c1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C11H16N2O2.C9H12N2O2/c1-2-15-11(14)10-7-9(12-13-10)8-5-3-4-6-8;12-9(13)8-5-7(10-11-8)6-3-1-2-4-6/h7-8H,2-6H2,1H3,(H,12,13);5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYUKZZCWXDOLADI-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.01
Rot. Bonds5

About 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate

5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate (PubChem CID 162018519) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
PubChem CID162018519
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)[nH]n1.O=C(O)c1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C11H16N2O2.C9H12N2O2/c1-2-15-11(14)10-7-9(12-13-10)8-5-3-4-6-8;12-9(13)8-5-7(10-11-8)6-3-1-2-4-6/h7-8H,2-6H2,1H3,(H,12,13);5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyYUKZZCWXDOLADI-UHFFFAOYSA-N
XLogP4.01
TPSA120.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092279
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
CID 171800759
(2-oxo-2-piperidin-1-ylethyl) 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 55569703
5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
CID 83409074
ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate
CID 143252415
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 55569507
2-(2-oxopyrrolidin-1-yl)ethyl 5-cyclohexyl-1H-pyrazole-3-carboxylate
CID 75433636
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092280
methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 166284523
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
CID 115020200
acetylene;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 164570952

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate (CID 162018519) is 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(C2CCCC2)[nH]n1.O=C(O)c1cc(C2CCCC2)[nH]n1.
What is the InChIKey of 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
The InChIKey is YUKZZCWXDOLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C9H12N2O2/c1-2-15-11(14)10-7-9(12-13-10)8-5-3-4-6-8;12-9(13)8-5-7(10-11-8)6-3-1-2-4-6/h7-8H,2-6H2,1H3,(H,12,13);5-6H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate?
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 162018519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).