1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea

C19H21N5O3 — CID 141356301

IUPAC1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea
SMILESCCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)c1ccc2c(C)n(C)nc2c1
InChIInChI=1S/C19H21N5O3/c1-5-13-6-7-15(24(26)27)11-17(13)20-19(25)22(3)14-8-9-16-12(2)23(4)21-18(16)10-14/h6-11H,5H2,1-4H3,(H,20,25)
InChIKeyXRPVDEHAYUEXCU-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.02
Rot. Bonds4

About 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea

1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea (PubChem CID 141356301) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea
PubChem CID141356301
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea
SMILESCCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)c1ccc2c(C)n(C)nc2c1
InChIInChI=1S/C19H21N5O3/c1-5-13-6-7-15(24(26)27)11-17(13)20-19(25)22(3)14-8-9-16-12(2)23(4)21-18(16)10-14/h6-11H,5H2,1-4H3,(H,20,25)
InChIKeyXRPVDEHAYUEXCU-UHFFFAOYSA-N
XLogP4.02
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4-nitrophenyl)-1-(2,3-dimethylindazol-6-yl)-1-methylurea
CID 141356354
3-(2-chloro-3-nitrophenyl)-1-(2,3-dimethylindazol-6-yl)-1-methylurea
CID 141356323
1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
CID 113229838
1-ethyl-3-(2-hydroxy-5-nitrophenyl)-1-methylurea
CID 107745893
3-(2-chloro-5-nitrophenyl)-1,1-diethylurea
CID 17257251
4-bromo-N-(2-hydroxy-5-nitrophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266379
N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 56684702
N,N,2-trimethyl-5-nitroindazol-3-amine
CID 12649206
N-(2-ethyl-4-nitrophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 91681069
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
2-chloro-N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-5-nitrobenzamide
CID 3820209
2-[[methyl-(4-nitrophenyl)carbamoyl]amino]acetic acid
CID 43445668

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea?
The IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea (CID 141356301) is 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea.
What is the SMILES notation for 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea?
The canonical SMILES for 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea is CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)c1ccc2c(C)n(C)nc2c1.
What is the InChIKey of 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea?
The InChIKey is XRPVDEHAYUEXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-5-13-6-7-15(24(26)27)11-17(13)20-19(25)22(3)14-8-9-16-12(2)23(4)21-18(16)10-14/h6-11H,5H2,1-4H3,(H,20,25).
What are the key properties of 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea?
1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea has a molecular weight of 367.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindazol-6-yl)-3-(2-ethyl-5-nitrophenyl)-1-methylurea is sourced from PubChem (CID 141356301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).