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

C11H12FN3 — CID 83848218

IUPAC[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1CN
InChIInChI=1S/C11H12FN3/c1-7-10(6-13)14-15-11(7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyFBMQELDPKBVKPV-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.98
Rot. Bonds2

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

[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine (PubChem CID 83848218) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
PubChem CID83848218
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1CN
InChIInChI=1S/C11H12FN3/c1-7-10(6-13)14-15-11(7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyFBMQELDPKBVKPV-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847041
[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83850139
3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
4-[5-(aminomethyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-pyridin-2-one
CID 22953837
5-ethyl-4-methyl-3-phenyl-1H-pyrazole
CID 134439971
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane
CID 145448857
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
CID 83850555
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine (CID 83848218) is [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine is Cc1c(-c2ccc(F)cc2)n[nH]c1CN.
What is the InChIKey of [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine?
The InChIKey is FBMQELDPKBVKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-10(6-13)14-15-11(7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3,(H,14,15).
What are the key properties of [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine?
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 83848218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).