1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine

C16H18FN3 — CID 171821944

IUPAC1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cc(F)cc(-n3cc(C4CC4)cn3)c2)CC1
InChIInChI=1S/C16H18FN3/c1-18-16(4-5-16)13-6-14(17)8-15(7-13)20-10-12(9-19-20)11-2-3-11/h6-11,18H,2-5H2,1H3
InChIKeyYAUYPWMVBUIKQR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.10
Rot. Bonds4

About 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine

1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine (PubChem CID 171821944) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine
PubChem CID171821944
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cc(F)cc(-n3cc(C4CC4)cn3)c2)CC1
InChIInChI=1S/C16H18FN3/c1-18-16(4-5-16)13-6-14(17)8-15(7-13)20-10-12(9-19-20)11-2-3-11/h6-11,18H,2-5H2,1H3
InChIKeyYAUYPWMVBUIKQR-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine (CID 171821944) is 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine is CNC1(c2cc(F)cc(-n3cc(C4CC4)cn3)c2)CC1.
What is the InChIKey of 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine?
The InChIKey is YAUYPWMVBUIKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-18-16(4-5-16)13-6-14(17)8-15(7-13)20-10-12(9-19-20)11-2-3-11/h6-11,18H,2-5H2,1H3.
What are the key properties of 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine?
1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine has a molecular weight of 271.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropylpyrazol-1-yl)-5-fluorophenyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 171821944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).