4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline

C13H15ClFN3 — CID 114555205

IUPAC4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3/c1-2-7-18-11(5-6-17-18)9-16-13-4-3-10(14)8-12(13)15/h3-6,8,16H,2,7,9H2,1H3
InChIKeyHXLMGOKXGAGWFO-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.70
Rot. Bonds5

About 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline

4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555205) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555205
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3/c1-2-7-18-11(5-6-17-18)9-16-13-4-3-10(14)8-12(13)15/h3-6,8,16H,2,7,9H2,1H3
InChIKeyHXLMGOKXGAGWFO-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114556079

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555205) is 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is HXLMGOKXGAGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-7-18-11(5-6-17-18)9-16-13-4-3-10(14)8-12(13)15/h3-6,8,16H,2,7,9H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 267.74 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).