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

C19H25F3N4S — CID 150198918

IUPACN-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(N(C2CCN(CC(F)(F)F)CC2)C2CC2c2cccs2)n(C)n1
InChIInChI=1S/C19H25F3N4S/c1-13-10-18(24(2)23-13)26(16-11-15(16)17-4-3-9-27-17)14-5-7-25(8-6-14)12-19(20,21)22/h3-4,9-10,14-16H,5-8,11-12H2,1-2H3
InChIKeyFPAVWLKUDOMRSF-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.18
Rot. Bonds5

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

N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 150198918) 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-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID150198918
Molecular FormulaC19H25F3N4S
Molecular Weight398.50 g/mol
Exact Mass398.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(N(C2CCN(CC(F)(F)F)CC2)C2CC2c2cccs2)n(C)n1
InChIInChI=1S/C19H25F3N4S/c1-13-10-18(24(2)23-13)26(16-11-15(16)17-4-3-9-27-17)14-5-7-25(8-6-14)12-19(20,21)22/h3-4,9-10,14-16H,5-8,11-12H2,1-2H3
InChIKeyFPAVWLKUDOMRSF-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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Related Compounds

N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
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CID 118744575
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
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{[5-(4-Ethylpiperazin-1-YL)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-YL]methyl}[(3-methylthiophen-2-YL)methyl]propylamine
CID 42690463
4-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 91629051
2-Methyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773204
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CID 142844521
N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-3-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 150956152
1-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-thiophen-2-yl-2H-quinoline
CID 155287725
1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-thiophen-3-yl-2H-quinoline
CID 162619685
N-(4-cyclopropyl-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 16747603
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
CID 42690378

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 150198918) is N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cc(N(C2CCN(CC(F)(F)F)CC2)C2CC2c2cccs2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FPAVWLKUDOMRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4S/c1-13-10-18(24(2)23-13)26(16-11-15(16)17-4-3-9-27-17)14-5-7-25(8-6-14)12-19(20,21)22/h3-4,9-10,14-16H,5-8,11-12H2,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-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-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 150198918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).