4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline

C13H15ClFN3 — CID 103571404

IUPAC4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H15ClFN3/c1-2-5-18-9-10(8-17-18)7-16-13-4-3-11(14)6-12(13)15/h3-4,6,8-9,16H,2,5,7H2,1H3
InChIKeyREABYHVFBDSOME-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.70
Rot. Bonds5

About 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline

4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline (PubChem CID 103571404) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
PubChem CID103571404
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H15ClFN3/c1-2-5-18-9-10(8-17-18)7-16-13-4-3-11(14)6-12(13)15/h3-4,6,8-9,16H,2,5,7H2,1H3
InChIKeyREABYHVFBDSOME-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

2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
2-bromo-5-chloro-N-[(1-propylpyrazol-4-yl)methyl]pyridin-3-amine
CID 112749961
2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
CID 103571528
2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
CID 103571361
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
6-chloro-N-[(1-propylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 103880772
2-chloro-5-nitro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571413
methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
CID 103571443
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline (CID 103571404) is 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline is CCCn1cc(CNc2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The InChIKey is REABYHVFBDSOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-5-18-9-10(8-17-18)7-16-13-4-3-11(14)6-12(13)15/h3-4,6,8-9,16H,2,5,7H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline?
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-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-[(1-propylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103571404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).