[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine

C10H10FN3 — CID 79487322

IUPAC[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C10H10FN3/c11-9-3-1-2-7(4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14)
InChIKeyFKLOOHRTPTXWKO-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.67
Rot. Bonds2

About [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79487322) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID79487322
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C10H10FN3/c11-9-3-1-2-7(4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14)
InChIKeyFKLOOHRTPTXWKO-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
3-phenyl-1H-pyrazole
CID 17155
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
4-Phenylpyrazole
CID 139106
3-Methyl-4-phenylpyrazol
CID 139601
4-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 201772
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
5-benzhydryl-1H-pyrazole
CID 2806015
2,4-Dihydroindeno(1,2-C)pyrazole
CID 3392643
7-Methyl-1H-indazole
CID 820797
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-Bromo-3-phenyl-1H-pyrazole
CID 5324572

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine (CID 79487322) is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is FKLOOHRTPTXWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-9-3-1-2-7(4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14).
What are the key properties of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine?
[5-(3-fluorophenyl)-1H-pyrazol-4-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 [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).