(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine

C12H14FN3 — CID 90069330

IUPAC(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
SMILESC[C@H](N)Cn1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H14FN3/c1-9(14)7-16-8-11(6-15-16)10-2-4-12(13)5-3-10/h2-6,8-9H,7,14H2,1H3/t9-/m0/s1
InChIKeyOWTQSNGZXFGJGW-VIFPVBQESA-N
MW219.26 g/mol
LogP2.04
Rot. Bonds3

About (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine

(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine (PubChem CID 90069330) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
PubChem CID90069330
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
SMILESC[C@H](N)Cn1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H14FN3/c1-9(14)7-16-8-11(6-15-16)10-2-4-12(13)5-3-10/h2-6,8-9H,7,14H2,1H3/t9-/m0/s1
InChIKeyOWTQSNGZXFGJGW-VIFPVBQESA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
The IUPAC name of (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine (CID 90069330) is (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine is C[C@H](N)Cn1cc(-c2ccc(F)cc2)cn1.
What is the InChIKey of (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
The InChIKey is OWTQSNGZXFGJGW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FN3/c1-9(14)7-16-8-11(6-15-16)10-2-4-12(13)5-3-10/h2-6,8-9H,7,14H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine?
(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine has a molecular weight of 219.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 90069330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).