4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine

C12H15BrN4 — CID 115069448

IUPAC4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine
SMILESNCCCc1cnn(-c2ccccc2Br)c1N
InChIInChI=1S/C12H15BrN4/c13-10-5-1-2-6-11(10)17-12(15)9(8-16-17)4-3-7-14/h1-2,5-6,8H,3-4,7,14-15H2
InChIKeyGCBVEBMPQYQDBG-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.11
Rot. Bonds4

About 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine

4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine (PubChem CID 115069448) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine
PubChem CID115069448
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine
SMILESNCCCc1cnn(-c2ccccc2Br)c1N
InChIInChI=1S/C12H15BrN4/c13-10-5-1-2-6-11(10)17-12(15)9(8-16-17)4-3-7-14/h1-2,5-6,8H,3-4,7,14-15H2
InChIKeyGCBVEBMPQYQDBG-UHFFFAOYSA-N
XLogP2.11
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine?
The IUPAC name of 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine (CID 115069448) is 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine?
The canonical SMILES for 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine is NCCCc1cnn(-c2ccccc2Br)c1N.
What is the InChIKey of 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine?
The InChIKey is GCBVEBMPQYQDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-10-5-1-2-6-11(10)17-12(15)9(8-16-17)4-3-7-14/h1-2,5-6,8H,3-4,7,14-15H2.
What are the key properties of 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine?
4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine has a molecular weight of 295.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-(2-bromophenyl)pyrazol-5-amine is sourced from PubChem (CID 115069448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).