4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine

C12H12BrN3 — CID 43560980

IUPAC4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CC2)c1-c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3/c13-9-3-1-2-8(6-9)10-11(7-4-5-7)15-16-12(10)14/h1-3,6-7H,4-5H2,(H3,14,15,16)
InChIKeyRFMAQDFCRBSCJT-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.30
Rot. Bonds2

About 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine

4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine (PubChem CID 43560980) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine
PubChem CID43560980
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CC2)c1-c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3/c13-9-3-1-2-8(6-9)10-11(7-4-5-7)15-16-12(10)14/h1-3,6-7H,4-5H2,(H3,14,15,16)
InChIKeyRFMAQDFCRBSCJT-UHFFFAOYSA-N
XLogP3.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine (CID 43560980) is 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CC2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine?
The InChIKey is RFMAQDFCRBSCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-9-3-1-2-8(6-9)10-11(7-4-5-7)15-16-12(10)14/h1-3,6-7H,4-5H2,(H3,14,15,16).
What are the key properties of 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine has a molecular weight of 278.15 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine is sourced from PubChem (CID 43560980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).