N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H17Cl2F3N4O3S — CID 91054830

IUPACN-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)C1CC1
InChIInChI=1S/C19H17Cl2F3N4O3S/c1-9-16(18(29)27(2)32(30,31)11-4-5-11)17(10-3-6-12(20)13(21)7-10)28-15(25-9)8-14(26-28)19(22,23)24/h3,6-8,11,16-17H,4-5H2,1-2H3
InChIKeyLBBHMRAZYJARGO-UHFFFAOYSA-N
MW509.34 g/mol
LogP4.47
Rot. Bonds4

About N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 91054830) has the molecular formula C19H17Cl2F3N4O3S and a molecular weight of 509.34 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID91054830
Molecular FormulaC19H17Cl2F3N4O3S
Molecular Weight509.34 g/mol
Exact Mass508.04
IUPAC NameN-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)C1CC1
InChIInChI=1S/C19H17Cl2F3N4O3S/c1-9-16(18(29)27(2)32(30,31)11-4-5-11)17(10-3-6-12(20)13(21)7-10)28-15(25-9)8-14(26-28)19(22,23)24/h3,6-8,11,16-17H,4-5H2,1-2H3
InChIKeyLBBHMRAZYJARGO-UHFFFAOYSA-N
XLogP4.47
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 91054830) is N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)C1CC1.
What is the InChIKey of N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LBBHMRAZYJARGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N4O3S/c1-9-16(18(29)27(2)32(30,31)11-4-5-11)17(10-3-6-12(20)13(21)7-10)28-15(25-9)8-14(26-28)19(22,23)24/h3,6-8,11,16-17H,4-5H2,1-2H3.
What are the key properties of N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 509.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 91054830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).