(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine

C13H15Cl2N3 — CID 114198042

IUPAC(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)n1nccc1C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-8(2)18-12(5-6-17-18)13(16)10-4-3-9(14)7-11(10)15/h3-8,13H,16H2,1-2H3
InChIKeyGJSCFAUDRGAKAY-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.82
Rot. Bonds3

About (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine

(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine (PubChem CID 114198042) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
PubChem CID114198042
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)n1nccc1C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-8(2)18-12(5-6-17-18)13(16)10-4-3-9(14)7-11(10)15/h3-8,13H,16H2,1-2H3
InChIKeyGJSCFAUDRGAKAY-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114198024
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124207
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858606
(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114197621
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline
CID 69261229
2-amino-1-(2-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 112709526
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine (CID 114198042) is (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine is CC(C)n1nccc1C(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The InChIKey is GJSCFAUDRGAKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8(2)18-12(5-6-17-18)13(16)10-4-3-9(14)7-11(10)15/h3-8,13H,16H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine has a molecular weight of 284.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114198042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).