(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine

C13H14Cl3N3 — CID 105041781

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl3N3/c1-7(2)19-13(11(16)6-18-19)12(17)9-5-8(14)3-4-10(9)15/h3-7,12H,17H2,1-2H3
InChIKeyVQCMQOKGOLBICA-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.47
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine (PubChem CID 105041781) has the molecular formula C13H14Cl3N3 and a molecular weight of 318.64 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
PubChem CID105041781
Molecular FormulaC13H14Cl3N3
Molecular Weight318.64 g/mol
Exact Mass317.03
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl3N3/c1-7(2)19-13(11(16)6-18-19)12(17)9-5-8(14)3-4-10(9)15/h3-7,12H,17H2,1-2H3
InChIKeyVQCMQOKGOLBICA-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 105041732
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105041637
(2-bromo-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 107985415
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066069
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine (CID 105041781) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine is CC(C)n1ncc(Cl)c1C(N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is VQCMQOKGOLBICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3N3/c1-7(2)19-13(11(16)6-18-19)12(17)9-5-8(14)3-4-10(9)15/h3-7,12H,17H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 318.64 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 105041781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).