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

C24H20ClFN6O2 — CID 118085690

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)cc1C1CC1
InChIInChI=1S/C24H20ClFN6O2/c25-18-9-14(4-6-19(18)26)22-21(23(28)33)20-12-31(7-8-32(20)30-22)24(34)29-16-5-3-15(11-27)17(10-16)13-1-2-13/h3-6,9-10,13H,1-2,7-8,12H2,(H2,28,33)(H,29,34)
InChIKeyJZEKXNZFTMRPOO-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.24
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118085690) has the molecular formula C24H20ClFN6O2 and a molecular weight of 478.92 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118085690
Molecular FormulaC24H20ClFN6O2
Molecular Weight478.92 g/mol
Exact Mass478.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESN#Cc1ccc(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)cc1C1CC1
InChIInChI=1S/C24H20ClFN6O2/c25-18-9-14(4-6-19(18)26)22-21(23(28)33)20-12-31(7-8-32(20)30-22)24(34)29-16-5-3-15(11-27)17(10-16)13-1-2-13/h3-6,9-10,13H,1-2,7-8,12H2,(H2,28,33)(H,29,34)
InChIKeyJZEKXNZFTMRPOO-UHFFFAOYSA-N
XLogP4.24
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-morpholin-4-ylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650874
2-(3,5-dichloro-4-fluorophenyl)-5-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085506
2-(3-chloro-4-fluorophenyl)-5-N-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650830
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
5-N-(3-chloro-4-cyanophenyl)-2-(7-chloro-3-methyl-2H-indazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650896
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856
2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123762503
2-(3-chloro-4-fluorophenyl)-5-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 138749230
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
2-(3-chlorophenyl)-5-N-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061426
2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)-5-N-(4-cyano-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085587
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118085690) is 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is N#Cc1ccc(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)cc1C1CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is JZEKXNZFTMRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O2/c25-18-9-14(4-6-19(18)26)22-21(23(28)33)20-12-31(7-8-32(20)30-22)24(34)29-16-5-3-15(11-27)17(10-16)13-1-2-13/h3-6,9-10,13H,1-2,7-8,12H2,(H2,28,33)(H,29,34).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 478.92 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118085690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).