N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

C14H22N6O — CID 70768400

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C14H22N6O/c1-11(2)20-10-15-17-13(20)9-18(3)14(21)6-5-12-7-16-19(4)8-12/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyVFDCGJSFWFQTCN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.18
Rot. Bonds6

About N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 70768400) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID70768400
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C14H22N6O/c1-11(2)20-10-15-17-13(20)9-18(3)14(21)6-5-12-7-16-19(4)8-12/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyVFDCGJSFWFQTCN-UHFFFAOYSA-N
XLogP1.18
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide 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 N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (CID 70768400) is N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)n1cnnc1CN(C)C(=O)CCc1cnn(C)c1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is VFDCGJSFWFQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11(2)20-10-15-17-13(20)9-18(3)14(21)6-5-12-7-16-19(4)8-12/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 290.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 70768400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).