(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine

C12H15BrN4 — CID 113398477

IUPAC(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2ncccc2Br)cn1
InChIInChI=1S/C12H15BrN4/c1-2-6-17-8-9(7-16-17)11(14)12-10(13)4-3-5-15-12/h3-5,7-8,11H,2,6,14H2,1H3
InChIKeyFTXQWXZQQYAHCI-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.50
Rot. Bonds4

About (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine

(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine (PubChem CID 113398477) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
PubChem CID113398477
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2ncccc2Br)cn1
InChIInChI=1S/C12H15BrN4/c1-2-6-17-8-9(7-16-17)11(14)12-10(13)4-3-5-15-12/h3-5,7-8,11H,2,6,14H2,1H3
InChIKeyFTXQWXZQQYAHCI-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
CID 63950472
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62829496
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine (CID 113398477) is (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)c2ncccc2Br)cn1.
What is the InChIKey of (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is FTXQWXZQQYAHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-2-6-17-8-9(7-16-17)11(14)12-10(13)4-3-5-15-12/h3-5,7-8,11H,2,6,14H2,1H3.
What are the key properties of (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine?
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 295.18 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 113398477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).