2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide

C19H24N6O — CID 56904450

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1cnnc1CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H24N6O/c1-4-24-13-21-22-18(24)10-11-20-19(26)12-17-14(2)23-25(15(17)3)16-8-6-5-7-9-16/h5-9,13H,4,10-12H2,1-3H3,(H,20,26)
InChIKeyDPSQLDINOGKLAP-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.00
Rot. Bonds7

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 56904450) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID56904450
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1cnnc1CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H24N6O/c1-4-24-13-21-22-18(24)10-11-20-19(26)12-17-14(2)23-25(15(17)3)16-8-6-5-7-9-16/h5-9,13H,4,10-12H2,1-3H3,(H,20,26)
InChIKeyDPSQLDINOGKLAP-UHFFFAOYSA-N
XLogP2.00
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide 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

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 34050863
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55934209
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9269421
[2-oxo-2-(propylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629414
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9032199
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278857
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
CID 89224809
CID 89224809

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 56904450) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCn1cnnc1CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is DPSQLDINOGKLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-24-13-21-22-18(24)10-11-20-19(26)12-17-14(2)23-25(15(17)3)16-8-6-5-7-9-16/h5-9,13H,4,10-12H2,1-3H3,(H,20,26).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 56904450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).