3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine

C17H18FN5 — CID 174492715

IUPAC3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine
SMILESNCc1cc(F)ccc1-c1cc(N)n(-c2ccccc2CN)n1
InChIInChI=1S/C17H18FN5/c18-13-5-6-14(12(7-13)10-20)15-8-17(21)23(22-15)16-4-2-1-3-11(16)9-19/h1-8H,9-10,19-21H2
InChIKeyMNRUGPCAKNIFPM-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.18
Rot. Bonds4

About 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine

3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine (PubChem CID 174492715) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine
PubChem CID174492715
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine
SMILESNCc1cc(F)ccc1-c1cc(N)n(-c2ccccc2CN)n1
InChIInChI=1S/C17H18FN5/c18-13-5-6-14(12(7-13)10-20)15-8-17(21)23(22-15)16-4-2-1-3-11(16)9-19/h1-8H,9-10,19-21H2
InChIKeyMNRUGPCAKNIFPM-UHFFFAOYSA-N
XLogP2.18
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine (CID 174492715) is 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine is NCc1cc(F)ccc1-c1cc(N)n(-c2ccccc2CN)n1.
What is the InChIKey of 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine?
The InChIKey is MNRUGPCAKNIFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c18-13-5-6-14(12(7-13)10-20)15-8-17(21)23(22-15)16-4-2-1-3-11(16)9-19/h1-8H,9-10,19-21H2.
What are the key properties of 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine?
3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine has a molecular weight of 311.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4-fluorophenyl]-1-[2-(aminomethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 174492715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).