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

C13H16FN3 — CID 19626118

IUPAC4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-2-9-17-13(7-8-16-17)10-15-12-5-3-11(14)4-6-12/h3-8,15H,2,9-10H2,1H3
InChIKeyWULDWBHZKYCFTP-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.04
Rot. Bonds5

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

4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 19626118) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID19626118
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-2-9-17-13(7-8-16-17)10-15-12-5-3-11(14)4-6-12/h3-8,15H,2,9-10H2,1H3
InChIKeyWULDWBHZKYCFTP-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
CID 114555413
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile
CID 114555253
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114556079
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 114555266
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 114554811
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
1-ethyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555517
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 19626118) is 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is WULDWBHZKYCFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-9-17-13(7-8-16-17)10-15-12-5-3-11(14)4-6-12/h3-8,15H,2,9-10H2,1H3.
What are the key properties of 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 233.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 19626118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).