1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

C18H24N4O — CID 75475378

IUPAC1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1ccc2c(c1)C(NC(=O)NCc1cnn(C)c1C)C(C)C2
InChIInChI=1S/C18H24N4O/c1-11-5-6-14-8-12(2)17(16(14)7-11)21-18(23)19-9-15-10-20-22(4)13(15)3/h5-7,10,12,17H,8-9H2,1-4H3,(H2,19,21,23)
InChIKeyXBLKIJSTJSYAQM-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.77
Rot. Bonds3

About 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 75475378) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID75475378
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1ccc2c(c1)C(NC(=O)NCc1cnn(C)c1C)C(C)C2
InChIInChI=1S/C18H24N4O/c1-11-5-6-14-8-12(2)17(16(14)7-11)21-18(23)19-9-15-10-20-22(4)13(15)3/h5-7,10,12,17H,8-9H2,1-4H3,(H2,19,21,23)
InChIKeyXBLKIJSTJSYAQM-UHFFFAOYSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-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

1-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 124841753
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]urea
CID 124852589
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 146084594
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 110024699
1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126816544
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 124595791
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
CID 138994694
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-methylidenecyclobutane-1-carboxamide
CID 126840448

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (CID 75475378) is 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is Cc1ccc2c(c1)C(NC(=O)NCc1cnn(C)c1C)C(C)C2.
What is the InChIKey of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is XBLKIJSTJSYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11-5-6-14-8-12(2)17(16(14)7-11)21-18(23)19-9-15-10-20-22(4)13(15)3/h5-7,10,12,17H,8-9H2,1-4H3,(H2,19,21,23).
What are the key properties of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 312.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 75475378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).