5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C20H22F3N5O2 — CID 118069147

IUPAC5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCC(F)(F)CC1)CC2
InChIInChI=1S/C20H22F3N5O2/c21-13-3-1-2-12(10-13)17-16(18(24)29)15-11-27(8-9-28(15)26-17)19(30)25-14-4-6-20(22,23)7-5-14/h1-3,10,14H,4-9,11H2,(H2,24,29)(H,25,30)
InChIKeyGXMRXSYTMBWDNW-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.89
Rot. Bonds3

About 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069147) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069147
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCC(F)(F)CC1)CC2
InChIInChI=1S/C20H22F3N5O2/c21-13-3-1-2-12(10-13)17-16(18(24)29)15-11-27(8-9-28(15)26-17)19(30)25-14-4-6-20(22,23)7-5-14/h1-3,10,14H,4-9,11H2,(H2,24,29)(H,25,30)
InChIKeyGXMRXSYTMBWDNW-UHFFFAOYSA-N
XLogP2.89
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069147) is 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCC(F)(F)CC1)CC2.
What is the InChIKey of 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is GXMRXSYTMBWDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c21-13-3-1-2-12(10-13)17-16(18(24)29)15-11-27(8-9-28(15)26-17)19(30)25-14-4-6-20(22,23)7-5-14/h1-3,10,14H,4-9,11H2,(H2,24,29)(H,25,30).
What are the key properties of 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 421.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).