5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile

C13H13FN4 — CID 100762004

IUPAC5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
SMILESCCn1nc(Cc2cccc(F)c2)c(C#N)c1N
InChIInChI=1S/C13H13FN4/c1-2-18-13(16)11(8-15)12(17-18)7-9-4-3-5-10(14)6-9/h3-6H,2,7,16H2,1H3
InChIKeyGRZSBNRCNNPWHI-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile

5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile (PubChem CID 100762004) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
PubChem CID100762004
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
SMILESCCn1nc(Cc2cccc(F)c2)c(C#N)c1N
InChIInChI=1S/C13H13FN4/c1-2-18-13(16)11(8-15)12(17-18)7-9-4-3-5-10(14)6-9/h3-6H,2,7,16H2,1H3
InChIKeyGRZSBNRCNNPWHI-UHFFFAOYSA-N
XLogP2.09
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile (CID 100762004) is 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile is CCn1nc(Cc2cccc(F)c2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile?
The InChIKey is GRZSBNRCNNPWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-2-18-13(16)11(8-15)12(17-18)7-9-4-3-5-10(14)6-9/h3-6H,2,7,16H2,1H3.
What are the key properties of 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile?
5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile has a molecular weight of 244.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 100762004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).