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

C13H15ClFN3 — CID 63977040

IUPAC(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-2-7-18-12(5-6-17-18)13(16)10-4-3-9(15)8-11(10)14/h3-6,8,13H,2,7,16H2,1H3
InChIKeyBFGPRJXNOLIZPG-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.13
Rot. Bonds4

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

(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 63977040) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID63977040
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-2-7-18-12(5-6-17-18)13(16)10-4-3-9(15)8-11(10)14/h3-6,8,13H,2,7,16H2,1H3
InChIKeyBFGPRJXNOLIZPG-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63977023

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine (CID 63977040) is (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is BFGPRJXNOLIZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-7-18-12(5-6-17-18)13(16)10-4-3-9(15)8-11(10)14/h3-6,8,13H,2,7,16H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 267.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63977040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).