1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C15H17N5O3 — CID 86804058

IUPAC1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C15H17N5O3/c1-9-6-12(20(22)23)3-5-13(9)18-15(21)17-11-2-4-14-10(7-11)8-16-19-14/h3,5-6,8,11H,2,4,7H2,1H3,(H,16,19)(H2,17,18,21)
InChIKeyDTCHVOBFBBNPAS-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.31
Rot. Bonds3

About 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 86804058) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID86804058
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C15H17N5O3/c1-9-6-12(20(22)23)3-5-13(9)18-15(21)17-11-2-4-14-10(7-11)8-16-19-14/h3,5-6,8,11H,2,4,7H2,1H3,(H,16,19)(H2,17,18,21)
InChIKeyDTCHVOBFBBNPAS-UHFFFAOYSA-N
XLogP2.31
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)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-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327595
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 122138548
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889
N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
CID 124578647
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
1-(2-methyl-4-nitrophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 86817893

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 86804058) is 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is DTCHVOBFBBNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9-6-12(20(22)23)3-5-13(9)18-15(21)17-11-2-4-14-10(7-11)8-16-19-14/h3,5-6,8,11H,2,4,7H2,1H3,(H,16,19)(H2,17,18,21).
What are the key properties of 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 315.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 86804058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).