(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine

C11H11Cl2N3 — CID 43124207

IUPAC(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H11Cl2N3/c1-16-6-7(5-15-16)11(14)9-3-2-8(12)4-10(9)13/h2-6,11H,14H2,1H3
InChIKeyQELGLEVKODLKGB-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.78
Rot. Bonds2

About (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine

(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 43124207) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID43124207
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C11H11Cl2N3/c1-16-6-7(5-15-16)11(14)9-3-2-8(12)4-10(9)13/h2-6,11H,14H2,1H3
InChIKeyQELGLEVKODLKGB-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115808803
1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114028295
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(1S)-1-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 28600399
1-(2,4-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438696
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115473271
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
(4-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113277074
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine (CID 43124207) is (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is QELGLEVKODLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-16-6-7(5-15-16)11(14)9-3-2-8(12)4-10(9)13/h2-6,11H,14H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine?
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 256.14 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).