N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine

C17H21F3N4 — CID 56822936

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCc1[nH]ncc1CNC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N4/c1-12-13(11-22-23-12)10-21-15-5-7-24(8-6-15)16-4-2-3-14(9-16)17(18,19)20/h2-4,9,11,15,21H,5-8,10H2,1H3,(H,22,23)
InChIKeyZCGJEJWFIXQJSD-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.50
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 56822936) has the molecular formula C17H21F3N4 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID56822936
Molecular FormulaC17H21F3N4
Molecular Weight338.38 g/mol
Exact Mass338.17
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCc1[nH]ncc1CNC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N4/c1-12-13(11-22-23-12)10-21-15-5-7-24(8-6-15)16-4-2-3-14(9-16)17(18,19)20/h2-4,9,11,15,21H,5-8,10H2,1H3,(H,22,23)
InChIKeyZCGJEJWFIXQJSD-UHFFFAOYSA-N
XLogP3.50
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine (CID 56822936) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine is Cc1[nH]ncc1CNC1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is ZCGJEJWFIXQJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4/c1-12-13(11-22-23-12)10-21-15-5-7-24(8-6-15)16-4-2-3-14(9-16)17(18,19)20/h2-4,9,11,15,21H,5-8,10H2,1H3,(H,22,23).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 338.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 56822936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).