N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine

C17H22F3N5 — CID 91936969

IUPACN-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1
InChIInChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24)
InChIKeyVBUUATKGJOATLP-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.09
Rot. Bonds4

About N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine

N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 91936969) has the molecular formula C17H22F3N5 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID91936969
Molecular FormulaC17H22F3N5
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC NameN-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1
InChIInChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24)
InChIKeyVBUUATKGJOATLP-UHFFFAOYSA-N
XLogP4.09
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
(S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 53232451
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Sutidiazine
CID 92045019
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263434

Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 91936969) is N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1.
What is the InChIKey of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VBUUATKGJOATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24).
What are the key properties of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 353.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 91936969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).