N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine

C16H21F2N3 — CID 63078057

IUPACN-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(-n2ccc(C(C)C)n2)c(F)c1
InChIInChI=1S/C16H21F2N3/c1-10(2)15-5-6-21(20-15)16-13(17)7-12(8-14(16)18)9-19-11(3)4/h5-8,10-11,19H,9H2,1-4H3
InChIKeyOHHAFDVPNPCGDG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.77
Rot. Bonds5

About N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine

N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 63078057) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
PubChem CID63078057
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(-n2ccc(C(C)C)n2)c(F)c1
InChIInChI=1S/C16H21F2N3/c1-10(2)15-5-6-21(20-15)16-13(17)7-12(8-14(16)18)9-19-11(3)4/h5-8,10-11,19H,9H2,1-4H3
InChIKeyOHHAFDVPNPCGDG-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine
CID 63815728
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62489855
N-[[6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62491762
N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62490052
N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390657
N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62487799
N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62492116
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 61345935
N-[[3,5-difluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63052451
N-[(4-ethylsulfanyl-3,5-difluorophenyl)methyl]propan-2-amine
CID 63807110
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 64695946

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine (CID 63078057) is N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)c(-n2ccc(C(C)C)n2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is OHHAFDVPNPCGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-10(2)15-5-6-21(20-15)16-13(17)7-12(8-14(16)18)9-19-11(3)4/h5-8,10-11,19H,9H2,1-4H3.
What are the key properties of N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine?
N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63078057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).