N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine

C13H14FN3O — CID 91541141

IUPACN-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine
SMILESFc1cccc(Nc2ccn[nH]2)c1OCC1CC1
InChIInChI=1S/C13H14FN3O/c14-10-2-1-3-11(16-12-6-7-15-17-12)13(10)18-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H2,15,16,17)
InChIKeyMUBZBCZYCJNKJV-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.08
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine

N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine (PubChem CID 91541141) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine
PubChem CID91541141
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine
SMILESFc1cccc(Nc2ccn[nH]2)c1OCC1CC1
InChIInChI=1S/C13H14FN3O/c14-10-2-1-3-11(16-12-6-7-15-17-12)13(10)18-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H2,15,16,17)
InChIKeyMUBZBCZYCJNKJV-UHFFFAOYSA-N
XLogP3.08
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine (CID 91541141) is N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine is Fc1cccc(Nc2ccn[nH]2)c1OCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine?
The InChIKey is MUBZBCZYCJNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-2-1-3-11(16-12-6-7-15-17-12)13(10)18-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H2,15,16,17).
What are the key properties of N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine?
N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine has a molecular weight of 247.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 91541141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).