N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine

C17H17FN4 — CID 141438029

IUPACN-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(Nc2cccc(-c3cc(F)cc(CN)c3)c2)n[nH]1
InChIInChI=1S/C17H17FN4/c1-11-5-17(22-21-11)20-16-4-2-3-13(9-16)14-6-12(10-19)7-15(18)8-14/h2-9H,10,19H2,1H3,(H2,20,21,22)
InChIKeyXNYUZLUVQJLRTD-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.73
Rot. Bonds4

About N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine

N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine (PubChem CID 141438029) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine
PubChem CID141438029
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC NameN-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(Nc2cccc(-c3cc(F)cc(CN)c3)c2)n[nH]1
InChIInChI=1S/C17H17FN4/c1-11-5-17(22-21-11)20-16-4-2-3-13(9-16)14-6-12(10-19)7-15(18)8-14/h2-9H,10,19H2,1H3,(H2,20,21,22)
InChIKeyXNYUZLUVQJLRTD-UHFFFAOYSA-N
XLogP3.73
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine (CID 141438029) is N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine is Cc1cc(Nc2cccc(-c3cc(F)cc(CN)c3)c2)n[nH]1.
What is the InChIKey of N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine?
The InChIKey is XNYUZLUVQJLRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-11-5-17(22-21-11)20-16-4-2-3-13(9-16)14-6-12(10-19)7-15(18)8-14/h2-9H,10,19H2,1H3,(H2,20,21,22).
What are the key properties of N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine?
N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine has a molecular weight of 296.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)-5-fluorophenyl]phenyl]-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 141438029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).