(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine

C12H13ClFN3 — CID 107993240

IUPAC(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H13ClFN3/c1-2-17-11(5-6-16-17)12(15)8-3-4-9(13)10(14)7-8/h3-7,12H,2,15H2,1H3
InChIKeyRWFFHADUPNDFSF-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.74
Rot. Bonds3

About (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine

(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 107993240) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
PubChem CID107993240
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H13ClFN3/c1-2-17-11(5-6-16-17)12(15)8-3-4-9(13)10(14)7-8/h3-7,12H,2,15H2,1H3
InChIKeyRWFFHADUPNDFSF-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
CID 63976398
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine (CID 107993240) is (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine is CCn1nccc1C(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is RWFFHADUPNDFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-2-17-11(5-6-16-17)12(15)8-3-4-9(13)10(14)7-8/h3-7,12H,2,15H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 253.71 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107993240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).