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

C19H22N6O2 — CID 71288499

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C19H22N6O2/c1-23-15-7-4-3-6-14(15)22-16(23)8-9-20-18(26)17-13(12-21-24(17)2)19(27)25-10-5-11-25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26)
InChIKeyRDRUHVXSVRSDJK-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.13
Rot. Bonds5

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

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288499) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288499
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C19H22N6O2/c1-23-15-7-4-3-6-14(15)22-16(23)8-9-20-18(26)17-13(12-21-24(17)2)19(27)25-10-5-11-25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26)
InChIKeyRDRUHVXSVRSDJK-UHFFFAOYSA-N
XLogP1.13
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide (CID 71288499) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccc2n1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is RDRUHVXSVRSDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-23-15-7-4-3-6-14(15)22-16(23)8-9-20-18(26)17-13(12-21-24(17)2)19(27)25-10-5-11-25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).