6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

C17H20FN5O2S — CID 70895409

IUPAC6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2c(S(=O)(=O)c3cccc(F)c3)c(N)nn2c(C)c1CN(C)C
InChIInChI=1S/C17H20FN5O2S/c1-10-14(9-22(3)4)11(2)23-17(20-10)15(16(19)21-23)26(24,25)13-7-5-6-12(18)8-13/h5-8H,9H2,1-4H3,(H2,19,21)
InChIKeySCNTWLMHKYBWHN-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.96
Rot. Bonds4

About 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 70895409) has the molecular formula C17H20FN5O2S and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID70895409
Molecular FormulaC17H20FN5O2S
Molecular Weight377.45 g/mol
Exact Mass377.13
IUPAC Name6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2c(S(=O)(=O)c3cccc(F)c3)c(N)nn2c(C)c1CN(C)C
InChIInChI=1S/C17H20FN5O2S/c1-10-14(9-22(3)4)11(2)23-17(20-10)15(16(19)21-23)26(24,25)13-7-5-6-12(18)8-13/h5-8H,9H2,1-4H3,(H2,19,21)
InChIKeySCNTWLMHKYBWHN-UHFFFAOYSA-N
XLogP1.96
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(aminomethyl)-3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189986
3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46190033
1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
CID 58357809
2-[3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylethanamine
CID 46190594
6-(aminomethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 46189984
2-[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylethanamine;hydrochloride
CID 123432737
3-(3-chlorophenyl)sulfonyl-6-(2-ethylbutyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 91269355
6-(2-aminoethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189990
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 91409298
3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 58357655
3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451656
3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-amine;hydrochloride
CID 123208146

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 70895409) is 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is Cc1nc2c(S(=O)(=O)c3cccc(F)c3)c(N)nn2c(C)c1CN(C)C.
What is the InChIKey of 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is SCNTWLMHKYBWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2S/c1-10-14(9-22(3)4)11(2)23-17(20-10)15(16(19)21-23)26(24,25)13-7-5-6-12(18)8-13/h5-8H,9H2,1-4H3,(H2,19,21).
What are the key properties of 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 377.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 70895409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).