N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C14H17F3N4O2S — CID 22499666

IUPACN-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)N(C)c1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C14H17F3N4O2S/c1-9(2)20(3)13-7-11(14(15,16)17)19-21(13)12-6-5-10(8-18-12)24(4,22)23/h5-9H,1-4H3
InChIKeyBADFTHSJSQZKRA-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine

N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 22499666) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID22499666
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC NameN-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)N(C)c1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C14H17F3N4O2S/c1-9(2)20(3)13-7-11(14(15,16)17)19-21(13)12-6-5-10(8-18-12)24(4,22)23/h5-9H,1-4H3
InChIKeyBADFTHSJSQZKRA-UHFFFAOYSA-N
XLogP2.53
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 22499666) is N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine is CC(C)N(C)c1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is BADFTHSJSQZKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c1-9(2)20(3)13-7-11(14(15,16)17)19-21(13)12-6-5-10(8-18-12)24(4,22)23/h5-9H,1-4H3.
What are the key properties of N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 362.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylsulfonyl-2-pyridinyl)-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 22499666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).