N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine

C17H22FN3 — CID 66439775

IUPACN-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1c(CNC2CC2)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-12(2)17-14(9-19-16-7-8-16)10-20-21(17)11-13-3-5-15(18)6-4-13/h3-6,10,12,16,19H,7-9,11H2,1-2H3
InChIKeyWGXHDVOXUCWMMS-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.45
Rot. Bonds6

About N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66439775) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66439775
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1c(CNC2CC2)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-12(2)17-14(9-19-16-7-8-16)10-20-21(17)11-13-3-5-15(18)6-4-13/h3-6,10,12,16,19H,7-9,11H2,1-2H3
InChIKeyWGXHDVOXUCWMMS-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66442394
N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 66440340
1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
CID 66439624
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513
N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 66439681
N-[[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439994
N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440263
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine
CID 66442704
[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66442606
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 75515471
N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441221

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine (CID 66439775) is N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine is CC(C)c1c(CNC2CC2)cnn1Cc1ccc(F)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WGXHDVOXUCWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-12(2)17-14(9-19-16-7-8-16)10-20-21(17)11-13-3-5-15(18)6-4-13/h3-6,10,12,16,19H,7-9,11H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 287.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66439775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).