4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine

C11H12FN3 — CID 15841133

IUPAC4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1Cc1ccccc1F
InChIInChI=1S/C11H12FN3/c1-7-9(11(13)15-14-7)6-8-4-2-3-5-10(8)12/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKeyYQIUCBDICPPRRA-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.03
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine

4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine (PubChem CID 15841133) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine
PubChem CID15841133
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1Cc1ccccc1F
InChIInChI=1S/C11H12FN3/c1-7-9(11(13)15-14-7)6-8-4-2-3-5-10(8)12/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKeyYQIUCBDICPPRRA-UHFFFAOYSA-N
XLogP2.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 575802
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
3,4-diphenyl-1H-pyrazol-5-amine
CID 737137
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
Celecoxib N-des(benzenesulfonamide)
CID 4166967
3-(4-propylphenyl)-1H-pyrazol-5-amine
CID 2384284
4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 4737235

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine (CID 15841133) is 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine?
The InChIKey is YQIUCBDICPPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-9(11(13)15-14-7)6-8-4-2-3-5-10(8)12/h2-5H,6H2,1H3,(H3,13,14,15).
What are the key properties of 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine?
4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 15841133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).