4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine

C12H12BrN3O — CID 117474465

IUPAC4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(OC2CC2)c(Br)c1
InChIInChI=1S/C12H12BrN3O/c13-10-5-7(9-6-15-16-12(9)14)1-4-11(10)17-8-2-3-8/h1,4-6,8H,2-3H2,(H3,14,15,16)
InChIKeyMHKLFWHHACHSPA-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.96
Rot. Bonds3

About 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine

4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117474465) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
PubChem CID117474465
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(OC2CC2)c(Br)c1
InChIInChI=1S/C12H12BrN3O/c13-10-5-7(9-6-15-16-12(9)14)1-4-11(10)17-8-2-3-8/h1,4-6,8H,2-3H2,(H3,14,15,16)
InChIKeyMHKLFWHHACHSPA-UHFFFAOYSA-N
XLogP2.96
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine (CID 117474465) is 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(OC2CC2)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is MHKLFWHHACHSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-5-7(9-6-15-16-12(9)14)1-4-11(10)17-8-2-3-8/h1,4-6,8H,2-3H2,(H3,14,15,16).
What are the key properties of 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine?
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 294.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117474465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).