ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate

C20H22N4O3 — CID 46980285

IUPACethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1cncn1C(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C20H22N4O3/c1-3-27-20(25)18-16(10-22-23-18)17-11-21-12-24(17)19(13-4-5-13)14-6-8-15(26-2)9-7-14/h6-13,19H,3-5H2,1-2H3,(H,22,23)
InChIKeyLVHVJNXTBHXTTA-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.46
Rot. Bonds7

About ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate

ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate (PubChem CID 46980285) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
PubChem CID46980285
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nameethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1cncn1C(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C20H22N4O3/c1-3-27-20(25)18-16(10-22-23-18)17-11-21-12-24(17)19(13-4-5-13)14-6-8-15(26-2)9-7-14/h6-13,19H,3-5H2,1-2H3,(H,22,23)
InChIKeyLVHVJNXTBHXTTA-UHFFFAOYSA-N
XLogP3.46
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate (CID 46980285) is ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1-c1cncn1C(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The InChIKey is LVHVJNXTBHXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-27-20(25)18-16(10-22-23-18)17-11-21-12-24(17)19(13-4-5-13)14-6-8-15(26-2)9-7-14/h6-13,19H,3-5H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[cyclopropyl-(4-methoxyphenyl)methyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 46980285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).