4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide

C15H23F2N5O — CID 48957994

IUPAC4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H23F2N5O/c1-20-13-4-2-3-12(11(13)9-18-20)19-15(23)22-7-5-21(6-8-22)10-14(16)17/h9,12,14H,2-8,10H2,1H3,(H,19,23)
InChIKeyOQAQZVXBUJWQMX-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.39
Rot. Bonds3

About 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide (PubChem CID 48957994) has the molecular formula C15H23F2N5O and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
PubChem CID48957994
Molecular FormulaC15H23F2N5O
Molecular Weight327.38 g/mol
Exact Mass327.19
IUPAC Name4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H23F2N5O/c1-20-13-4-2-3-12(11(13)9-18-20)19-15(23)22-7-5-21(6-8-22)10-14(16)17/h9,12,14H,2-8,10H2,1H3,(H,19,23)
InChIKeyOQAQZVXBUJWQMX-UHFFFAOYSA-N
XLogP1.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide (CID 48957994) is 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide is Cn1ncc2c1CCCC2NC(=O)N1CCN(CC(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
The InChIKey is OQAQZVXBUJWQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O/c1-20-13-4-2-3-12(11(13)9-18-20)19-15(23)22-7-5-21(6-8-22)10-14(16)17/h9,12,14H,2-8,10H2,1H3,(H,19,23).
What are the key properties of 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 48957994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).