1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea

C14H10Cl2N4O — CID 4607305

IUPAC1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10Cl2N4O/c15-11-3-1-10(6-12(11)16)19-14(21)18-9-2-4-13-8(5-9)7-17-20-13/h1-7H,(H,17,20)(H2,18,19,21)
InChIKeyYZUTZSNUPLLBOY-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.51
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea

1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea (PubChem CID 4607305) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
PubChem CID4607305
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10Cl2N4O/c15-11-3-1-10(6-12(11)16)19-14(21)18-9-2-4-13-8(5-9)7-17-20-13/h1-7H,(H,17,20)(H2,18,19,21)
InChIKeyYZUTZSNUPLLBOY-UHFFFAOYSA-N
XLogP4.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
CID 103221440
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 17164818
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea (CID 4607305) is 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea?
The InChIKey is YZUTZSNUPLLBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-11-3-1-10(6-12(11)16)19-14(21)18-9-2-4-13-8(5-9)7-17-20-13/h1-7H,(H,17,20)(H2,18,19,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea?
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea has a molecular weight of 321.17 g/mol, XLogP of 4.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 4607305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).