1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate

C17H18N4O2 — CID 71976411

IUPAC1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
SMILESCC(OC(=O)c1cc(C2CC2)[nH]n1)c1nc2ccccc2n1C
InChIInChI=1S/C17H18N4O2/c1-10(16-18-12-5-3-4-6-15(12)21(16)2)23-17(22)14-9-13(19-20-14)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyHYVLQISDIQBHKY-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.09
Rot. Bonds4

About 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate

1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate (PubChem CID 71976411) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
PubChem CID71976411
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
SMILESCC(OC(=O)c1cc(C2CC2)[nH]n1)c1nc2ccccc2n1C
InChIInChI=1S/C17H18N4O2/c1-10(16-18-12-5-3-4-6-15(12)21(16)2)23-17(22)14-9-13(19-20-14)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyHYVLQISDIQBHKY-UHFFFAOYSA-N
XLogP3.09
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate (CID 71976411) is 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate is CC(OC(=O)c1cc(C2CC2)[nH]n1)c1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate?
The InChIKey is HYVLQISDIQBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10(16-18-12-5-3-4-6-15(12)21(16)2)23-17(22)14-9-13(19-20-14)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate?
1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 71976411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).