4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine

C14H14BrN5 — CID 80853083

IUPAC4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(-n2cc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C14H14BrN5/c1-2-7-16-14-18-12-6-4-3-5-11(12)13(19-14)20-9-10(15)8-17-20/h3-6,8-9H,2,7H2,1H3,(H,16,18,19)
InChIKeyGSVKONXDLJOEJG-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.40
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine

4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine (PubChem CID 80853083) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
PubChem CID80853083
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(-n2cc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C14H14BrN5/c1-2-7-16-14-18-12-6-4-3-5-11(12)13(19-14)20-9-10(15)8-17-20/h3-6,8-9H,2,7H2,1H3,(H,16,18,19)
InChIKeyGSVKONXDLJOEJG-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine (CID 80853083) is 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine is CCCNc1nc(-n2cc(Br)cn2)c2ccccc2n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine?
The InChIKey is GSVKONXDLJOEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-2-7-16-14-18-12-6-4-3-5-11(12)13(19-14)20-9-10(15)8-17-20/h3-6,8-9H,2,7H2,1H3,(H,16,18,19).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine?
4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine has a molecular weight of 332.21 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine is sourced from PubChem (CID 80853083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).