(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

C11H10Cl2FN3 — CID 114651067

IUPAC(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10Cl2FN3/c1-17-11(8(13)5-16-17)10(15)7-3-2-6(12)4-9(7)14/h2-5,10H,15H2,1H3
InChIKeyHIMXUTLUKHVRLM-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.91
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 114651067) has the molecular formula C11H10Cl2FN3 and a molecular weight of 274.13 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID114651067
Molecular FormulaC11H10Cl2FN3
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10Cl2FN3/c1-17-11(8(13)5-16-17)10(15)7-3-2-6(12)4-9(7)14/h2-5,10H,15H2,1H3
InChIKeyHIMXUTLUKHVRLM-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
[(4-chloro-1-methylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105216647
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271
[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250271

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 114651067) is (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1C(N)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is HIMXUTLUKHVRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3/c1-17-11(8(13)5-16-17)10(15)7-3-2-6(12)4-9(7)14/h2-5,10H,15H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 274.13 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114651067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).