(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine

C13H15ClFN3 — CID 114659171

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1cc(C)cc(F)c1
InChIInChI=1S/C13H15ClFN3/c1-3-18-13(11(14)7-17-18)12(16)9-4-8(2)5-10(15)6-9/h4-7,12H,3,16H2,1-2H3
InChIKeyONHKKLNWUPDBSS-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.05
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine (PubChem CID 114659171) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
PubChem CID114659171
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1cc(C)cc(F)c1
InChIInChI=1S/C13H15ClFN3/c1-3-18-13(11(14)7-17-18)12(16)9-4-8(2)5-10(15)6-9/h4-7,12H,3,16H2,1-2H3
InChIKeyONHKKLNWUPDBSS-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105040696
(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659181
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methanamine
CID 105054719
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
[(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105336447
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(3-bromo-5-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054566

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine (CID 114659171) is (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine is CCn1ncc(Cl)c1C(N)c1cc(C)cc(F)c1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The InChIKey is ONHKKLNWUPDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-3-18-13(11(14)7-17-18)12(16)9-4-8(2)5-10(15)6-9/h4-7,12H,3,16H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine has a molecular weight of 267.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 114659171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).