N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine

C15H18F3N5 — CID 97221881

IUPACN-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(N2CCC[C@@H](Nc3cc(C(F)(F)F)ccn3)C2)cn1
InChIInChI=1S/C15H18F3N5/c1-22-10-13(8-20-22)23-6-2-3-12(9-23)21-14-7-11(4-5-19-14)15(16,17)18/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyBWIXZSPCIOJFKB-GFCCVEGCSA-N
MW325.34 g/mol
LogP2.91
Rot. Bonds3

About N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine

N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 97221881) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID97221881
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC NameN-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(N2CCC[C@@H](Nc3cc(C(F)(F)F)ccn3)C2)cn1
InChIInChI=1S/C15H18F3N5/c1-22-10-13(8-20-22)23-6-2-3-12(9-23)21-14-7-11(4-5-19-14)15(16,17)18/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyBWIXZSPCIOJFKB-GFCCVEGCSA-N
XLogP2.91
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 154737129
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
1-(1-methylpyrazol-4-yl)-N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 133340954
1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 133330179
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133330058
3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71870989
N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 166432019
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133330010
5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
CID 75494330
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 97221881) is N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine is Cn1cc(N2CCC[C@@H](Nc3cc(C(F)(F)F)ccn3)C2)cn1.
What is the InChIKey of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BWIXZSPCIOJFKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F3N5/c1-22-10-13(8-20-22)23-6-2-3-12(9-23)21-14-7-11(4-5-19-14)15(16,17)18/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 325.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 97221881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).