3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline

C11H12FN3 — CID 79054690

IUPAC3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCc1cc(F)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C11H12FN3/c1-8-4-9(12)6-11(5-8)13-7-10-2-3-14-15-10/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyDQSXFMMWQFGRQA-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.47
Rot. Bonds3

About 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline

3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 79054690) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID79054690
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCc1cc(F)cc(NCc2ccn[nH]2)c1
InChIInChI=1S/C11H12FN3/c1-8-4-9(12)6-11(5-8)13-7-10-2-3-14-15-10/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyDQSXFMMWQFGRQA-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662346
5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 61285074
3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline;hydrochloride
CID 171316039
4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 62911967
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoro-5-methylaniline
CID 79054856
5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 115881304
N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
CID 54862737
4-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662270
3-fluoro-5-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 79055182
3-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662434
5-ethoxy-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 80730449

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline (CID 79054690) is 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline is Cc1cc(F)cc(NCc2ccn[nH]2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is DQSXFMMWQFGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-4-9(12)6-11(5-8)13-7-10-2-3-14-15-10/h2-6,13H,7H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline?
3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 205.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 79054690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).