N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C19H25F3N4S — CID 150956152

IUPACN-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(N(C2CCN(CC(F)(F)F)CC2)C2CC2c2ccsc2)n(C)n1
InChIInChI=1S/C19H25F3N4S/c1-13-9-18(24(2)23-13)26(17-10-16(17)14-5-8-27-11-14)15-3-6-25(7-4-15)12-19(20,21)22/h5,8-9,11,15-17H,3-4,6-7,10,12H2,1-2H3
InChIKeyLLCWXPKQDCFIPD-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.18
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 150956152) has the molecular formula C19H25F3N4S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID150956152
Molecular FormulaC19H25F3N4S
Molecular Weight398.50 g/mol
Exact Mass398.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(N(C2CCN(CC(F)(F)F)CC2)C2CC2c2ccsc2)n(C)n1
InChIInChI=1S/C19H25F3N4S/c1-13-9-18(24(2)23-13)26(17-10-16(17)14-5-8-27-11-14)15-3-6-25(7-4-15)12-19(20,21)22/h5,8-9,11,15-17H,3-4,6-7,10,12H2,1-2H3
InChIKeyLLCWXPKQDCFIPD-UHFFFAOYSA-N
XLogP4.18
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 150956152) is N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cc(N(C2CCN(CC(F)(F)F)CC2)C2CC2c2ccsc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LLCWXPKQDCFIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4S/c1-13-9-18(24(2)23-13)26(17-10-16(17)14-5-8-27-11-14)15-3-6-25(7-4-15)12-19(20,21)22/h5,8-9,11,15-17H,3-4,6-7,10,12H2,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 398.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 150956152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).