1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea

C18H23N7O — CID 46994368

IUPAC1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESCc1nc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)nn1C(C)C
InChIInChI=1S/C18H23N7O/c1-13(2)25-14(3)20-17(22-25)21-18(26)23(4)11-15-10-19-24(12-15)16-8-6-5-7-9-16/h5-10,12-13H,11H2,1-4H3,(H,21,22,26)
InChIKeyMQXGRDKNXUUYOC-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.02
Rot. Bonds5

About 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea

1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 46994368) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID46994368
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESCc1nc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)nn1C(C)C
InChIInChI=1S/C18H23N7O/c1-13(2)25-14(3)20-17(22-25)21-18(26)23(4)11-15-10-19-24(12-15)16-8-6-5-7-9-16/h5-10,12-13H,11H2,1-4H3,(H,21,22,26)
InChIKeyMQXGRDKNXUUYOC-UHFFFAOYSA-N
XLogP3.02
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea 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-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-methyl-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]urea
CID 46998800
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 55429046
3-hexyl-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 30694058
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 55809589
2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 17419291
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea (CID 46994368) is 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea is Cc1nc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)nn1C(C)C.
What is the InChIKey of 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is MQXGRDKNXUUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13(2)25-14(3)20-17(22-25)21-18(26)23(4)11-15-10-19-24(12-15)16-8-6-5-7-9-16/h5-10,12-13H,11H2,1-4H3,(H,21,22,26).
What are the key properties of 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea?
1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 353.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 46994368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).