3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile

C12H12FN5 — CID 3782177

IUPAC3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile
SMILESCc1cc(Nc2c(C#N)c(N)nn2C)ccc1F
InChIInChI=1S/C12H12FN5/c1-7-5-8(3-4-10(7)13)16-12-9(6-14)11(15)17-18(12)2/h3-5,16H,1-2H3,(H2,15,17)
InChIKeyGNYBZJNZPUVOJU-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.07
Rot. Bonds2

About 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile

3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile (PubChem CID 3782177) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile
PubChem CID3782177
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile
SMILESCc1cc(Nc2c(C#N)c(N)nn2C)ccc1F
InChIInChI=1S/C12H12FN5/c1-7-5-8(3-4-10(7)13)16-12-9(6-14)11(15)17-18(12)2/h3-5,16H,1-2H3,(H2,15,17)
InChIKeyGNYBZJNZPUVOJU-UHFFFAOYSA-N
XLogP2.07
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424
5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 660367
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
5-Amino-1-benzyl-3-methyl-1H-pyrazole-4-carbonitrile
CID 683821
N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]-N''-methylbenzenecarboximidamide
CID 2324502
5-Amino-3-(cyanomethyl)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 2444719
1-methyl-3-(trifluoromethyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazino}-1H-pyrazole-4-carbonitrile
CID 3706236
1-(2,5-Dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea
CID 2811730

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile (CID 3782177) is 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile is Cc1cc(Nc2c(C#N)c(N)nn2C)ccc1F.
What is the InChIKey of 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile?
The InChIKey is GNYBZJNZPUVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c1-7-5-8(3-4-10(7)13)16-12-9(6-14)11(15)17-18(12)2/h3-5,16H,1-2H3,(H2,15,17).
What are the key properties of 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile?
3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile has a molecular weight of 245.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 3782177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).