5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine

C14H19FN4 — CID 66027410

IUPAC5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-3-7-19-14(13(16)10(2)18-19)17-9-11-5-4-6-12(15)8-11/h4-6,8,17H,3,7,9,16H2,1-2H3
InChIKeyBOCYJSNVBOIPFP-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.93
Rot. Bonds5

About 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine

5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66027410) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66027410
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1cccc(F)c1
InChIInChI=1S/C14H19FN4/c1-3-7-19-14(13(16)10(2)18-19)17-9-11-5-4-6-12(15)8-11/h4-6,8,17H,3,7,9,16H2,1-2H3
InChIKeyBOCYJSNVBOIPFP-UHFFFAOYSA-N
XLogP2.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
CID 71844344
5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66028752
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028842
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66029585
3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine
CID 66027834
5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66013047
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 79048395
5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 62537746
1,3-dimethyl-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4,5-diamine
CID 43554040

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine (CID 66027410) is 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCc1cccc(F)c1.
What is the InChIKey of 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is BOCYJSNVBOIPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-7-19-14(13(16)10(2)18-19)17-9-11-5-4-6-12(15)8-11/h4-6,8,17H,3,7,9,16H2,1-2H3.
What are the key properties of 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).