1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea

C15H14N4O — CID 62686211

IUPAC1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H14N4O/c1-10-5-4-6-11(9-10)16-15(20)17-14-12-7-2-3-8-13(12)18-19-14/h2-9H,1H3,(H3,16,17,18,19,20)
InChIKeyCRVVJCLMRFRAOV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.52
Rot. Bonds2

About 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea

1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea (PubChem CID 62686211) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
PubChem CID62686211
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H14N4O/c1-10-5-4-6-11(9-10)16-15(20)17-14-12-7-2-3-8-13(12)18-19-14/h2-9H,1H3,(H3,16,17,18,19,20)
InChIKeyCRVVJCLMRFRAOV-UHFFFAOYSA-N
XLogP3.52
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647
N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea
CID 25197518
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea
CID 151735986
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea (CID 62686211) is 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2n[nH]c3ccccc23)c1.
What is the InChIKey of 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea?
The InChIKey is CRVVJCLMRFRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-5-4-6-11(9-10)16-15(20)17-14-12-7-2-3-8-13(12)18-19-14/h2-9H,1H3,(H3,16,17,18,19,20).
What are the key properties of 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea?
1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea has a molecular weight of 266.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 62686211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).