N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

C16H20FN3 — CID 62490188

IUPACN-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC(C)c1ccn(-c2ccc(F)cc2CNC2CC2)n1
InChIInChI=1S/C16H20FN3/c1-11(2)15-7-8-20(19-15)16-6-3-13(17)9-12(16)10-18-14-4-5-14/h3,6-9,11,14,18H,4-5,10H2,1-2H3
InChIKeyMUCRNUCKCZGRIS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.39
Rot. Bonds5

About N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 62490188) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID62490188
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC(C)c1ccn(-c2ccc(F)cc2CNC2CC2)n1
InChIInChI=1S/C16H20FN3/c1-11(2)15-7-8-20(19-15)16-6-3-13(17)9-12(16)10-18-14-4-5-14/h3,6-9,11,14,18H,4-5,10H2,1-2H3
InChIKeyMUCRNUCKCZGRIS-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62489855
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
1-[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]-N-methylethanamine
CID 62488844
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79771903
N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62492287
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 61405500
N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381217
N-[[5-chloro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854597
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62487619
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 115560640

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine (CID 62490188) is N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is CC(C)c1ccn(-c2ccc(F)cc2CNC2CC2)n1.
What is the InChIKey of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is MUCRNUCKCZGRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11(2)15-7-8-20(19-15)16-6-3-13(17)9-12(16)10-18-14-4-5-14/h3,6-9,11,14,18H,4-5,10H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 273.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62490188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).