1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine

C19H22ClFN4O2S — CID 58357809

IUPAC1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
SMILESCCc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O2S/c1-6-17-18(28(26,27)13-7-8-16(21)15(20)9-13)19-22-11(2)14(10-24(4)5)12(3)25(19)23-17/h7-9H,6,10H2,1-5H3
InChIKeyLLROUDKJVMEVPF-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.60
Rot. Bonds5

About 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine

1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine (PubChem CID 58357809) has the molecular formula C19H22ClFN4O2S and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
PubChem CID58357809
Molecular FormulaC19H22ClFN4O2S
Molecular Weight424.93 g/mol
Exact Mass424.11
IUPAC Name1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
SMILESCCc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O2S/c1-6-17-18(28(26,27)13-7-8-16(21)15(20)9-13)19-22-11(2)14(10-24(4)5)12(3)25(19)23-17/h7-9H,6,10H2,1-5H3
InChIKeyLLROUDKJVMEVPF-UHFFFAOYSA-N
XLogP3.60
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine (CID 58357809) is 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine is CCc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
The InChIKey is LLROUDKJVMEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2S/c1-6-17-18(28(26,27)13-7-8-16(21)15(20)9-13)19-22-11(2)14(10-24(4)5)12(3)25(19)23-17/h7-9H,6,10H2,1-5H3.
What are the key properties of 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine?
1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine has a molecular weight of 424.93 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58357809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).