N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C18H18FN3S — CID 46989793

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESFc1ccc(-c2[nH]ncc2CN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C18H18FN3S/c19-16-3-1-14(2-4-16)18-15(9-20-21-18)11-22(17-5-6-17)10-13-7-8-23-12-13/h1-4,7-9,12,17H,5-6,10-11H2,(H,20,21)
InChIKeyUZJAUEYABABZIA-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.44
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 46989793) has the molecular formula C18H18FN3S and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID46989793
Molecular FormulaC18H18FN3S
Molecular Weight327.43 g/mol
Exact Mass327.12
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESFc1ccc(-c2[nH]ncc2CN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C18H18FN3S/c19-16-3-1-14(2-4-16)18-15(9-20-21-18)11-22(17-5-6-17)10-13-7-8-23-12-13/h1-4,7-9,12,17H,5-6,10-11H2,(H,20,21)
InChIKeyUZJAUEYABABZIA-UHFFFAOYSA-N
XLogP4.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 46989793) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is Fc1ccc(-c2[nH]ncc2CN(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is UZJAUEYABABZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3S/c19-16-3-1-14(2-4-16)18-15(9-20-21-18)11-22(17-5-6-17)10-13-7-8-23-12-13/h1-4,7-9,12,17H,5-6,10-11H2,(H,20,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 327.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 46989793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).