N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine

C17H21F2N3 — CID 25450844

IUPACN-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine
SMILESCc1c([C@@H](C)NC2CCCC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H21F2N3/c1-11(21-14-5-3-4-6-14)15-10-20-22(12(15)2)17-8-7-13(18)9-16(17)19/h7-11,14,21H,3-6H2,1-2H3/t11-/m1/s1
InChIKeyQAFXXYZHGKLIMR-LLVKDONJSA-N
MW305.37 g/mol
LogP4.05
Rot. Bonds4

About N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine

N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine (PubChem CID 25450844) has the molecular formula C17H21F2N3 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine
PubChem CID25450844
Molecular FormulaC17H21F2N3
Molecular Weight305.37 g/mol
Exact Mass305.17
IUPAC NameN-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine
SMILESCc1c([C@@H](C)NC2CCCC2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H21F2N3/c1-11(21-14-5-3-4-6-14)15-10-20-22(12(15)2)17-8-7-13(18)9-16(17)19/h7-11,14,21H,3-6H2,1-2H3/t11-/m1/s1
InChIKeyQAFXXYZHGKLIMR-LLVKDONJSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclohexanamine
CID 45208565
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]oxan-4-amine
CID 45167612
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 45238024
4-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-2,6-dimethylphenol
CID 25477171
(1R)-N-[(4-chloro-3-fluorophenyl)methyl]-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25480018
(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 28640838
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42211395
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 45201788
2-[2-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenoxy]ethanol
CID 26324737
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 45235389
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 45186281

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine?
The IUPAC name of N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine (CID 25450844) is N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine is Cc1c([C@@H](C)NC2CCCC2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine?
The InChIKey is QAFXXYZHGKLIMR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F2N3/c1-11(21-14-5-3-4-6-14)15-10-20-22(12(15)2)17-8-7-13(18)9-16(17)19/h7-11,14,21H,3-6H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine?
N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine has a molecular weight of 305.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 25450844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).