4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine

C14H18BrN3 — CID 43560970

IUPAC4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine
SMILESCCCC(C)c1[nH]nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-3-5-9(2)13-12(14(16)18-17-13)10-6-4-7-11(15)8-10/h4,6-9H,3,5H2,1-2H3,(H3,16,17,18)
InChIKeyPCKOAXMIZRCPJR-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.32
Rot. Bonds4

About 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine

4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine (PubChem CID 43560970) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine
PubChem CID43560970
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine
SMILESCCCC(C)c1[nH]nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-3-5-9(2)13-12(14(16)18-17-13)10-6-4-7-11(15)8-10/h4,6-9H,3,5H2,1-2H3,(H3,16,17,18)
InChIKeyPCKOAXMIZRCPJR-UHFFFAOYSA-N
XLogP4.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.32
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-pentan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine (CID 43560970) is 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine is CCCC(C)c1[nH]nc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine?
The InChIKey is PCKOAXMIZRCPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-5-9(2)13-12(14(16)18-17-13)10-6-4-7-11(15)8-10/h4,6-9H,3,5H2,1-2H3,(H3,16,17,18).
What are the key properties of 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine has a molecular weight of 308.22 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 43560970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).