(1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine

C14H16FN3 — CID 55184070

IUPAC(1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(-n2ccc(C3CC3)n2)c(F)c1
InChIInChI=1S/C14H16FN3/c1-9(16)11-4-5-14(12(15)8-11)18-7-6-13(17-18)10-2-3-10/h4-10H,2-3,16H2,1H3/t9-/m0/s1
InChIKeyIMWZYMJVMHSTCQ-VIFPVBQESA-N
MW245.30 g/mol
LogP2.91
Rot. Bonds3

About (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine

(1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 55184070) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine
PubChem CID55184070
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name(1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(-n2ccc(C3CC3)n2)c(F)c1
InChIInChI=1S/C14H16FN3/c1-9(16)11-4-5-14(12(15)8-11)18-7-6-13(17-18)10-2-3-10/h4-10H,2-3,16H2,1H3/t9-/m0/s1
InChIKeyIMWZYMJVMHSTCQ-VIFPVBQESA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine (CID 55184070) is (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine is C[C@H](N)c1ccc(-n2ccc(C3CC3)n2)c(F)c1.
What is the InChIKey of (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is IMWZYMJVMHSTCQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16FN3/c1-9(16)11-4-5-14(12(15)8-11)18-7-6-13(17-18)10-2-3-10/h4-10H,2-3,16H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
(1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 55184070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).