ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate

C12H16N2O2 — CID 143252415

IUPACethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc([C@H]2C(C)C23CC3)[nH]n1
InChIInChI=1S/C12H16N2O2/c1-3-16-11(15)9-6-8(13-14-9)10-7(2)12(10)4-5-12/h6-7,10H,3-5H2,1-2H3,(H,13,14)/t7?,10-/m1/s1
InChIKeyKJYONFSRFSVTLW-OMNKOJBGSA-N
MW220.27 g/mol
LogP2.10
Rot. Bonds3

About ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate

ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate (PubChem CID 143252415) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate
PubChem CID143252415
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc([C@H]2C(C)C23CC3)[nH]n1
InChIInChI=1S/C12H16N2O2/c1-3-16-11(15)9-6-8(13-14-9)10-7(2)12(10)4-5-12/h6-7,10H,3-5H2,1-2H3,(H,13,14)/t7?,10-/m1/s1
InChIKeyKJYONFSRFSVTLW-OMNKOJBGSA-N
XLogP2.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-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 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
CID 171800759
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
ethane;ethyl 5-bromo-1H-pyrazole-3-carboxylate
CID 169144775
acetylene;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 164570952
ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
CID 11975148
ethyl 5-pentan-3-yl-1H-pyrazole-3-carboxylate
CID 71624416
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 55569507
ethyl 5-pentadecyl-1H-pyrazole-3-carboxylate
CID 70581029
ethyl 5-(3-bromopropyl)-1H-pyrazole-3-carboxylate
CID 54326047
ethyl 5-(5-azaspiro[2.6]non-7-en-5-ylsulfonyl)-1H-pyrazole-3-carboxylate
CID 166283922
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274
5-butylnonan-5-yl-(3-ethoxycarbonyl-1H-pyrazol-5-yl)tin
CID 141081798

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate (CID 143252415) is ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc([C@H]2C(C)C23CC3)[nH]n1.
What is the InChIKey of ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate?
The InChIKey is KJYONFSRFSVTLW-OMNKOJBGSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-11(15)9-6-8(13-14-9)10-7(2)12(10)4-5-12/h6-7,10H,3-5H2,1-2H3,(H,13,14)/t7?,10-/m1/s1.
What are the key properties of ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate?
ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2S)-1-methylspiro[2.2]pentan-2-yl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 143252415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).