1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea

C21H19N5O — CID 11314310

IUPAC1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C21H19N5O/c1-13-4-2-5-16(12-13)24-21(27)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
InChIKeySPMHGQZFMNZCBV-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.76
Rot. Bonds3

About 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 11314310) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID11314310
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C21H19N5O/c1-13-4-2-5-16(12-13)24-21(27)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
InChIKeySPMHGQZFMNZCBV-UHFFFAOYSA-N
XLogP4.76
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea (CID 11314310) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is SPMHGQZFMNZCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-4-2-5-16(12-13)24-21(27)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 357.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 11314310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).