[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea

C13H11Cl2N5O — CID 170427111

IUPAC[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea
SMILESNC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C13H11Cl2N5O/c14-8-2-1-7-10(6-3-18-19-4-6)9(5-17-13(16)21)20-12(7)11(8)15/h1-4,20H,5H2,(H,18,19)(H3,16,17,21)
InChIKeyMBENYMFIMWCTHP-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.03
Rot. Bonds3

About [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea

[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea (PubChem CID 170427111) has the molecular formula C13H11Cl2N5O and a molecular weight of 324.17 g/mol. Its IUPAC name is [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea.

Molecular Properties

Compound Name[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea
PubChem CID170427111
Molecular FormulaC13H11Cl2N5O
Molecular Weight324.17 g/mol
Exact Mass323.03
IUPAC Name[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea
SMILESNC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C13H11Cl2N5O/c14-8-2-1-7-10(6-3-18-19-4-6)9(5-17-13(16)21)20-12(7)11(8)15/h1-4,20H,5H2,(H,18,19)(H3,16,17,21)
InChIKeyMBENYMFIMWCTHP-UHFFFAOYSA-N
XLogP3.03
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea with MolForge

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Related Compounds

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CID 138393371
US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 122
CID 170427066
US20230391786, Example 263
CID 170427235
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620
US20230391786, Example 188
CID 170427672
N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2-piperazin-1-ylacetamide
CID 166626547
2-Amino-1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]ethanone
CID 166627122

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea?
The IUPAC name of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea (CID 170427111) is [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea.
What is the SMILES notation for [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea?
The canonical SMILES for [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea is NC(=O)NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea?
The InChIKey is MBENYMFIMWCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O/c14-8-2-1-7-10(6-3-18-19-4-6)9(5-17-13(16)21)20-12(7)11(8)15/h1-4,20H,5H2,(H,18,19)(H3,16,17,21).
What are the key properties of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea?
[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea has a molecular weight of 324.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea is sourced from PubChem (CID 170427111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).