7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide

C22H21N5O2 — CID 56971267

IUPAC7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide
SMILESO=C(NC1CC1)c1cnn2c1N(C(=O)Nc1ccccc1)C(c1ccccc1)C2
InChIInChI=1S/C22H21N5O2/c28-20(24-17-11-12-17)18-13-23-26-14-19(15-7-3-1-4-8-15)27(21(18)26)22(29)25-16-9-5-2-6-10-16/h1-10,13,17,19H,11-12,14H2,(H,24,28)(H,25,29)
InChIKeyCSNCDCZRPBSSMS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.57
Rot. Bonds4

About 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide

7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide (PubChem CID 56971267) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide.

Molecular Properties

Compound Name7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide
PubChem CID56971267
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide
SMILESO=C(NC1CC1)c1cnn2c1N(C(=O)Nc1ccccc1)C(c1ccccc1)C2
InChIInChI=1S/C22H21N5O2/c28-20(24-17-11-12-17)18-13-23-26-14-19(15-7-3-1-4-8-15)27(21(18)26)22(29)25-16-9-5-2-6-10-16/h1-10,13,17,19H,11-12,14H2,(H,24,28)(H,25,29)
InChIKeyCSNCDCZRPBSSMS-UHFFFAOYSA-N
XLogP3.57
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide?
The IUPAC name of 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide (CID 56971267) is 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide.
What is the SMILES notation for 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide?
The canonical SMILES for 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide is O=C(NC1CC1)c1cnn2c1N(C(=O)Nc1ccccc1)C(c1ccccc1)C2.
What is the InChIKey of 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide?
The InChIKey is CSNCDCZRPBSSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-20(24-17-11-12-17)18-13-23-26-14-19(15-7-3-1-4-8-15)27(21(18)26)22(29)25-16-9-5-2-6-10-16/h1-10,13,17,19H,11-12,14H2,(H,24,28)(H,25,29).
What are the key properties of 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide?
7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclopropyl-1-N,2-diphenyl-2,3-dihydroimidazo[2,1-e]pyrazole-1,7-dicarboxamide is sourced from PubChem (CID 56971267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).