1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea

C23H23Cl2N5O — CID 143256464

IUPAC1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
SMILESCCCCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3c(ccn3C)c2)n1
InChIInChI=1S/C23H23Cl2N5O/c1-3-4-6-16-14-21(27-23(31)26-19-8-5-7-18(24)22(19)25)30(28-16)17-9-10-20-15(13-17)11-12-29(20)2/h5,7-14H,3-4,6H2,1-2H3,(H2,26,27,31)
InChIKeyOLKDLZPFDJAWIB-UHFFFAOYSA-N
MW456.38 g/mol
LogP6.66
Rot. Bonds6

About 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea

1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea (PubChem CID 143256464) has the molecular formula C23H23Cl2N5O and a molecular weight of 456.38 g/mol. Its IUPAC name is 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
PubChem CID143256464
Molecular FormulaC23H23Cl2N5O
Molecular Weight456.38 g/mol
Exact Mass455.13
IUPAC Name1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
SMILESCCCCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3c(ccn3C)c2)n1
InChIInChI=1S/C23H23Cl2N5O/c1-3-4-6-16-14-21(27-23(31)26-19-8-5-7-18(24)22(19)25)30(28-16)17-9-10-20-15(13-17)11-12-29(20)2/h5,7-14H,3-4,6H2,1-2H3,(H2,26,27,31)
InChIKeyOLKDLZPFDJAWIB-UHFFFAOYSA-N
XLogP6.66
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.38
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-butyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea;N-methylmethanamine
CID 143256640
1-[3-butyl-1-(2-piperazin-1-ylquinolin-6-yl)pyrazol-5-yl]-3-(2-chloro-3-methylphenyl)urea
CID 143256171
1-[3-butyl-1-(3-methoxyphenyl)pyrazol-5-yl]-3-(2,3-difluorophenyl)urea
CID 143256319
2-[3-[3-butyl-5-[1-(3-chloro-2-hydroxyanilino)ethenylamino]pyrazol-1-yl]phenyl]acetic acid
CID 143256664
1-[3-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-[2,3-dichloro-4-[6-(methylcarbamoylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 130457839
1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea
CID 163902961
N-[4-[4-[[3-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]-2,3-dichlorophenoxy]-2-pyridinyl]-2-(dimethylamino)acetamide
CID 130457655
ethyl 3-[3-[3-tert-butyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]propanoate
CID 58851631
1-[3-tert-butyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
CID 24968751
N-[4-[4-[[3-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]-2,3-dichlorophenoxy]-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 130457725
1-[3-tert-butyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
CID 69295198
1-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylanilino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 130315348

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea (CID 143256464) is 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea is CCCCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc3c(ccn3C)c2)n1.
What is the InChIKey of 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is OLKDLZPFDJAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O/c1-3-4-6-16-14-21(27-23(31)26-19-8-5-7-18(24)22(19)25)30(28-16)17-9-10-20-15(13-17)11-12-29(20)2/h5,7-14H,3-4,6H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea?
1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 456.38 g/mol, XLogP of 6.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-1-(1-methylindol-5-yl)pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 143256464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).