[2-(4-fluorophenyl)pyrazol-3-yl]methanamine

C10H10FN3 — CID 83877731

IUPAC[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c11-8-1-3-9(4-2-8)14-10(7-12)5-6-13-14/h1-6H,7,12H2
InChIKeySIJITAVJRNAJFR-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.47
Rot. Bonds2

About [2-(4-fluorophenyl)pyrazol-3-yl]methanamine

[2-(4-fluorophenyl)pyrazol-3-yl]methanamine (PubChem CID 83877731) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
PubChem CID83877731
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c11-8-1-3-9(4-2-8)14-10(7-12)5-6-13-14/h1-6H,7,12H2
InChIKeySIJITAVJRNAJFR-UHFFFAOYSA-N
XLogP1.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
1-Phenyl-1H-pyrazol-4-amine
CID 121021
1-Phenyl-3-propyl-pyrazole
CID 57320331
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
4-(1H-Pyrazol-1-yl)aniline
CID 594274
1-Phenylpyrazole
CID 70769
1-phenyl-1H-pyrazol-3-amine
CID 594320
Dimethylphenylpyrazole
CID 70800
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
3-methyl-1-phenyl-1H-pyrazole
CID 70783

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)pyrazol-3-yl]methanamine (CID 83877731) is [2-(4-fluorophenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)pyrazol-3-yl]methanamine is NCc1ccnn1-c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The InChIKey is SIJITAVJRNAJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-8-1-3-9(4-2-8)14-10(7-12)5-6-13-14/h1-6H,7,12H2.
What are the key properties of [2-(4-fluorophenyl)pyrazol-3-yl]methanamine?
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine has a molecular weight of 191.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 83877731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).