4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine

C12H14FN3 — CID 43157693

IUPAC4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1[nH]nc(N)c1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-7(2)11-10(12(14)16-15-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H3,14,15,16)
InChIKeySMAJUOZILWKZRE-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.92
Rot. Bonds2

About 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine

4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 43157693) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
PubChem CID43157693
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1[nH]nc(N)c1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-7(2)11-10(12(14)16-15-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H3,14,15,16)
InChIKeySMAJUOZILWKZRE-UHFFFAOYSA-N
XLogP2.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine (CID 43157693) is 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine is CC(C)c1[nH]nc(N)c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is SMAJUOZILWKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7(2)11-10(12(14)16-15-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H3,14,15,16).
What are the key properties of 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 219.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 43157693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).