ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate

C14H16N2O3 — CID 90326274

IUPACethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(COCc2ccccc2)[nH]n1
InChIInChI=1S/C14H16N2O3/c1-2-19-14(17)13-8-12(15-16-13)10-18-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,15,16)
InChIKeyMHEQZLCRKIRBGC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.30
Rot. Bonds6

About ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate

ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate (PubChem CID 90326274) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
PubChem CID90326274
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(COCc2ccccc2)[nH]n1
InChIInChI=1S/C14H16N2O3/c1-2-19-14(17)13-8-12(15-16-13)10-18-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,15,16)
InChIKeyMHEQZLCRKIRBGC-UHFFFAOYSA-N
XLogP2.30
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2-phenylmethoxyethyl)-1H-pyrazole-3-carboxylate
CID 137425461
acetylene;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 164570952
3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole
CID 174844882
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111
3-O-benzyl 5-O-methyl 1H-pyrazole-3,5-dicarboxylate
CID 91757662
ethyl 5-(3-bromopropyl)-1H-pyrazole-3-carboxylate
CID 54326047
ethyl 5-pentadecyl-1H-pyrazole-3-carboxylate
CID 70581029
ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
CID 11975148
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 154730490
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate (CID 90326274) is ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(COCc2ccccc2)[nH]n1.
What is the InChIKey of ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate?
The InChIKey is MHEQZLCRKIRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-14(17)13-8-12(15-16-13)10-18-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,15,16).
What are the key properties of ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate?
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 90326274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).