4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide

C20H24N6O2 — CID 71288681

IUPAC4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)NCCc1nc2ccccc2n1C)C1CC1
InChIInChI=1S/C20H24N6O2/c1-24(13-8-9-13)20(28)14-12-22-26(3)18(14)19(27)21-11-10-17-23-15-6-4-5-7-16(15)25(17)2/h4-7,12-13H,8-11H2,1-3H3,(H,21,27)
InChIKeyBUWMVQYFGVOKEN-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.51
Rot. Bonds6

About 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide

4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide (PubChem CID 71288681) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
PubChem CID71288681
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)NCCc1nc2ccccc2n1C)C1CC1
InChIInChI=1S/C20H24N6O2/c1-24(13-8-9-13)20(28)14-12-22-26(3)18(14)19(27)21-11-10-17-23-15-6-4-5-7-16(15)25(17)2/h4-7,12-13H,8-11H2,1-3H3,(H,21,27)
InChIKeyBUWMVQYFGVOKEN-UHFFFAOYSA-N
XLogP1.51
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide (CID 71288681) is 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide is CN(C(=O)c1cnn(C)c1C(=O)NCCc1nc2ccccc2n1C)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
The InChIKey is BUWMVQYFGVOKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-24(13-8-9-13)20(28)14-12-22-26(3)18(14)19(27)21-11-10-17-23-15-6-4-5-7-16(15)25(17)2/h4-7,12-13H,8-11H2,1-3H3,(H,21,27).
What are the key properties of 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide?
4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71288681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).