(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine

C11H10ClF2N3 — CID 115858401

IUPAC(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H10ClF2N3/c1-17-10(2-3-16-17)11(15)6-4-9(14)7(12)5-8(6)13/h2-5,11H,15H2,1H3
InChIKeyHXTMCFACWMBRIK-UHFFFAOYSA-N
MW257.67 g/mol
LogP2.40
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine

(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115858401) has the molecular formula C11H10ClF2N3 and a molecular weight of 257.67 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID115858401
Molecular FormulaC11H10ClF2N3
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H10ClF2N3/c1-17-10(2-3-16-17)11(15)6-4-9(14)7(12)5-8(6)13/h2-5,11H,15H2,1H3
InChIKeyHXTMCFACWMBRIK-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858606
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106758771
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758165
(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330605
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685
[2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 103044165
[(2-chloro-4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105215276

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine (CID 115858401) is (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is HXTMCFACWMBRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3/c1-17-10(2-3-16-17)11(15)6-4-9(14)7(12)5-8(6)13/h2-5,11H,15H2,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 257.67 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115858401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).