1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C20H24N6O3 — CID 71288503

IUPAC1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C20H24N6O3/c1-24-16-6-4-3-5-15(16)23-17(24)7-8-21-19(27)18-14(13-22-25(18)2)20(28)26-9-11-29-12-10-26/h3-6,13H,7-12H2,1-2H3,(H,21,27)
InChIKeyCAAHNOZPHBZNJV-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.75
Rot. Bonds5

About 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 71288503) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID71288503
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C20H24N6O3/c1-24-16-6-4-3-5-15(16)23-17(24)7-8-21-19(27)18-14(13-22-25(18)2)20(28)26-9-11-29-12-10-26/h3-6,13H,7-12H2,1-2H3,(H,21,27)
InChIKeyCAAHNOZPHBZNJV-UHFFFAOYSA-N
XLogP0.75
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 71288503) is 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCOCC2)c1C(=O)NCCc1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is CAAHNOZPHBZNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-24-16-6-4-3-5-15(16)23-17(24)7-8-21-19(27)18-14(13-22-25(18)2)20(28)26-9-11-29-12-10-26/h3-6,13H,7-12H2,1-2H3,(H,21,27).
What are the key properties of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71288503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).