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

C16H20FN3 — CID 66441277

IUPACN-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccccc1F
InChIInChI=1S/C16H20FN3/c1-2-5-15-12(10-18-13-8-9-13)11-19-20(15)16-7-4-3-6-14(16)17/h3-4,6-7,11,13,18H,2,5,8-10H2,1H3
InChIKeyGNTFTWCSSAKOBQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.22
Rot. Bonds6

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

N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66441277) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66441277
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccccc1F
InChIInChI=1S/C16H20FN3/c1-2-5-15-12(10-18-13-8-9-13)11-19-20(15)16-7-4-3-6-14(16)17/h3-4,6-7,11,13,18H,2,5,8-10H2,1H3
InChIKeyGNTFTWCSSAKOBQ-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (CID 66441277) is N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is CCCc1c(CNC2CC2)cnn1-c1ccccc1F.
What is the InChIKey of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is GNTFTWCSSAKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-5-15-12(10-18-13-8-9-13)11-19-20(15)16-7-4-3-6-14(16)17/h3-4,6-7,11,13,18H,2,5,8-10H2,1H3.
What are the key properties of N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 273.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66441277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).