[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine

C10H10FN3 — CID 62112168

IUPAC[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C10H10FN3/c11-9-4-2-1-3-8(9)10-5-7(6-12)13-14-10/h1-5H,6,12H2,(H,13,14)
InChIKeyZJEBSMFZXKYGRC-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.67
Rot. Bonds2

About [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 62112168) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID62112168
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C10H10FN3/c11-9-4-2-1-3-8(9)10-5-7(6-12)13-14-10/h1-5H,6,12H2,(H,13,14)
InChIKeyZJEBSMFZXKYGRC-UHFFFAOYSA-N
XLogP1.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-benzhydryl-1H-pyrazole
CID 2806015
3-methyl-1H-indazole
CID 820804
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine (CID 62112168) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine is NCc1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is ZJEBSMFZXKYGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-9-4-2-1-3-8(9)10-5-7(6-12)13-14-10/h1-5H,6,12H2,(H,13,14).
What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine?
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 191.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 62112168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).