N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C19H24N6O — CID 50972818

IUPACN-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(-n2cnnc2)cc1)C(C)C
InChIInChI=1S/C19H24N6O/c1-13(2)25(10-18-14(3)22-23(5)15(18)4)19(26)16-6-8-17(9-7-16)24-11-20-21-12-24/h6-9,11-13H,10H2,1-5H3
InChIKeyNLEGOOYGPBJUJT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.67
Rot. Bonds5

About N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 50972818) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID50972818
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(-n2cnnc2)cc1)C(C)C
InChIInChI=1S/C19H24N6O/c1-13(2)25(10-18-14(3)22-23(5)15(18)4)19(26)16-6-8-17(9-7-16)24-11-20-21-12-24/h6-9,11-13H,10H2,1-5H3
InChIKeyNLEGOOYGPBJUJT-UHFFFAOYSA-N
XLogP2.67
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide 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

N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 119070990
2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 46983799
4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74245945
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 46985361
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 45214039
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 46986307
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 46999441
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 70788438
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 50972818) is N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CN(C(=O)c1ccc(-n2cnnc2)cc1)C(C)C.
What is the InChIKey of N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is NLEGOOYGPBJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(2)25(10-18-14(3)22-23(5)15(18)4)19(26)16-6-8-17(9-7-16)24-11-20-21-12-24/h6-9,11-13H,10H2,1-5H3.
What are the key properties of N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 50972818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).