5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile

C14H17N5 — CID 71845236

IUPAC5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile
SMILESCc1nn(CCN(C)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C14H17N5/c1-11-13(10-15)14(16)19(17-11)9-8-18(2)12-6-4-3-5-7-12/h3-7H,8-9,16H2,1-2H3
InChIKeyJTLOZVKAXLSQPT-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.78
Rot. Bonds4

About 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile

5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile (PubChem CID 71845236) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile
PubChem CID71845236
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile
SMILESCc1nn(CCN(C)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C14H17N5/c1-11-13(10-15)14(16)19(17-11)9-8-18(2)12-6-4-3-5-7-12/h3-7H,8-9,16H2,1-2H3
InChIKeyJTLOZVKAXLSQPT-UHFFFAOYSA-N
XLogP1.78
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]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-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile (CID 71845236) is 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile is Cc1nn(CCN(C)c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile?
The InChIKey is JTLOZVKAXLSQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-11-13(10-15)14(16)19(17-11)9-8-18(2)12-6-4-3-5-7-12/h3-7H,8-9,16H2,1-2H3.
What are the key properties of 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile?
5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile has a molecular weight of 255.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-[2-(N-methylanilino)ethyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 71845236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).