3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide

C12H19N5O — CID 55243652

IUPAC3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C12H19N5O/c1-4-6-14-11(18)5-7-15-12-10(8-13)9(2)16-17(12)3/h15H,4-7H2,1-3H3,(H,14,18)
InChIKeyLXVCZLCBBWKRCT-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.93
Rot. Bonds6

About 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide

3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide (PubChem CID 55243652) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide
PubChem CID55243652
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C12H19N5O/c1-4-6-14-11(18)5-7-15-12-10(8-13)9(2)16-17(12)3/h15H,4-7H2,1-3H3,(H,14,18)
InChIKeyLXVCZLCBBWKRCT-UHFFFAOYSA-N
XLogP0.93
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63756962
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
5-(4-hydroxybutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 106842244
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405568
1,3-dimethyl-5-(2-methylsulfonylethylamino)pyrazole-4-carbonitrile
CID 63758017
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321
1-[2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498571
5-(3-methoxypropylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757669
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide
CID 106170857

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide (CID 55243652) is 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1c(C#N)c(C)nn1C.
What is the InChIKey of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide?
The InChIKey is LXVCZLCBBWKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-6-14-11(18)5-7-15-12-10(8-13)9(2)16-17(12)3/h15H,4-7H2,1-3H3,(H,14,18).
What are the key properties of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide?
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide has a molecular weight of 249.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 55243652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).