1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine

C16H19F3N4O2S — CID 133330179

IUPAC1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
SMILESCn1cc(N2CCCC(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H19F3N4O2S/c1-22-11-14(9-20-22)23-8-2-3-13(10-23)21-12-4-6-15(7-5-12)26(24,25)16(17,18)19/h4-7,9,11,13,21H,2-3,8,10H2,1H3
InChIKeySAWLSHJLTURKIL-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.79
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine

1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine (PubChem CID 133330179) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
PubChem CID133330179
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC Name1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
SMILESCn1cc(N2CCCC(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H19F3N4O2S/c1-22-11-14(9-20-22)23-8-2-3-13(10-23)21-12-4-6-15(7-5-12)26(24,25)16(17,18)19/h4-7,9,11,13,21H,2-3,8,10H2,1H3
InChIKeySAWLSHJLTURKIL-UHFFFAOYSA-N
XLogP2.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 133340954
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 97221881
N-[3-(difluoromethoxy)-4-nitrophenyl]-1-(1-methylpyrazol-4-yl)piperidin-3-amine
CID 133330169
5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
CID 75494330
1-(1-methylpyrazol-4-yl)-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-3-amine
CID 133330013
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133330058
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133330173
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
2-(2-fluorophenyl)-2-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590209

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine (CID 133330179) is 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine is Cn1cc(N2CCCC(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
The InChIKey is SAWLSHJLTURKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-22-11-14(9-20-22)23-8-2-3-13(10-23)21-12-4-6-15(7-5-12)26(24,25)16(17,18)19/h4-7,9,11,13,21H,2-3,8,10H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine?
1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine has a molecular weight of 388.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 133330179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).