(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine

C11H13BrClN3S — CID 105041950

IUPAC(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1sccc1Br
InChIInChI=1S/C11H13BrClN3S/c1-6(2)16-10(8(13)5-15-16)9(14)11-7(12)3-4-17-11/h3-6,9H,14H2,1-2H3
InChIKeyPIVPVCUORVGCAH-UHFFFAOYSA-N
MW334.67 g/mol
LogP3.99
Rot. Bonds3

About (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine

(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 105041950) has the molecular formula C11H13BrClN3S and a molecular weight of 334.67 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID105041950
Molecular FormulaC11H13BrClN3S
Molecular Weight334.67 g/mol
Exact Mass332.97
IUPAC Name(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1sccc1Br
InChIInChI=1S/C11H13BrClN3S/c1-6(2)16-10(8(13)5-15-16)9(14)11-7(12)3-4-17-11/h3-6,9H,14H2,1-2H3
InChIKeyPIVPVCUORVGCAH-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105042373
(3-bromo-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041750
(2-bromo-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 107985415
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine (CID 105041950) is (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine is CC(C)n1ncc(Cl)c1C(N)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is PIVPVCUORVGCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3S/c1-6(2)16-10(8(13)5-15-16)9(14)11-7(12)3-4-17-11/h3-6,9H,14H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 334.67 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105041950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).