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

C21H23F4N5O2 — CID 144845077

IUPAC5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)NC2(C(F)F)CC(F)(F)C2)CC3)cc1C
InChIInChI=1S/C21H23F4N5O2/c1-11-3-4-13(7-12(11)2)16-15(17(26)31)14-8-29(5-6-30(14)28-16)19(32)27-20(18(22)23)9-21(24,25)10-20/h3-4,7,18H,5-6,8-10H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyPXWQLLPGZQXWSM-UHFFFAOYSA-N
MW453.44 g/mol
LogP3.22
Rot. Bonds4

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

5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 144845077) has the molecular formula C21H23F4N5O2 and a molecular weight of 453.44 g/mol. Its IUPAC name is 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID144845077
Molecular FormulaC21H23F4N5O2
Molecular Weight453.44 g/mol
Exact Mass453.18
IUPAC Name5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)NC2(C(F)F)CC(F)(F)C2)CC3)cc1C
InChIInChI=1S/C21H23F4N5O2/c1-11-3-4-13(7-12(11)2)16-15(17(26)31)14-8-29(5-6-30(14)28-16)19(32)27-20(18(22)23)9-21(24,25)10-20/h3-4,7,18H,5-6,8-10H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyPXWQLLPGZQXWSM-UHFFFAOYSA-N
XLogP3.22
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

5-N-(3-fluoro-1,3-dimethylcyclobutyl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 163856319
2-(3-chloro-4-fluorophenyl)-5-N-(3-fluoro-1,3-dimethylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061452
2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061732
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925
2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061757
2-(3-chloro-4-fluorophenyl)-5-N-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071142
5-N-(3-bromo-4-methylphenyl)-2-(3-chloro-4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123319642
tert-butyl 3-carbamoyl-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118085424
2-(3-chlorophenyl)-5-[2-[1-(difluoromethyl)-3,3-difluorocyclobutyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 157395804
2-(4-chloro-3-fluorophenyl)-5-[2-(3,3-difluoro-1-methylcyclobutyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 158961347
2-(3-chloro-4-fluorophenyl)-5-N-(4-fluoro-2-methylpentan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087454
2-(3-chlorophenyl)-5-N-[1-(4-cyanophenyl)-3,3-difluorocyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071310

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 144845077) is 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)NC2(C(F)F)CC(F)(F)C2)CC3)cc1C.
What is the InChIKey of 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is PXWQLLPGZQXWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N5O2/c1-11-3-4-13(7-12(11)2)16-15(17(26)31)14-8-29(5-6-30(14)28-16)19(32)27-20(18(22)23)9-21(24,25)10-20/h3-4,7,18H,5-6,8-10H2,1-2H3,(H2,26,31)(H,27,32).
What are the key properties of 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 453.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(difluoromethyl)-3,3-difluorocyclobutyl]-2-(3,4-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 144845077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).