1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea

C19H19N5O2S — CID 5330030

IUPAC1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
SMILESCc1cc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)c(C)s1
InChIInChI=1S/C19H19N5O2S/c1-9-8-12(10(2)27-9)17-15-16(21-22-17)11-6-5-7-13(14(11)18(15)25)20-19(26)23-24(3)4/h5-8H,1-4H3,(H,21,22)(H2,20,23,26)
InChIKeyDPXOFWIUQGYYOA-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.56
Rot. Bonds3

About 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea

1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea (PubChem CID 5330030) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
PubChem CID5330030
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
SMILESCc1cc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)c(C)s1
InChIInChI=1S/C19H19N5O2S/c1-9-8-12(10(2)27-9)17-15-16(21-22-17)11-6-5-7-13(14(11)18(15)25)20-19(26)23-24(3)4/h5-8H,1-4H3,(H,21,22)(H2,20,23,26)
InChIKeyDPXOFWIUQGYYOA-UHFFFAOYSA-N
XLogP3.56
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-3-(4-oxo-3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea
CID 5330024
1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea
CID 18188258
6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 154057779
N-(4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazol-5-yl)acetamide
CID 5329642
6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 154143448
N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329606
2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329739
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 139912377
2-amino-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329738
3-amino-N',N'-dimethyl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbohydrazide
CID 54361052
[3-(furan-2-yl)-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl]urea
CID 5329658
1-methyl-3-(4-oxo-1H-indeno[2,1-d]pyrazol-5-yl)urea
CID 143073774

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The IUPAC name of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea (CID 5330030) is 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea is Cc1cc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)c(C)s1.
What is the InChIKey of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The InChIKey is DPXOFWIUQGYYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-9-8-12(10(2)27-9)17-15-16(21-22-17)11-6-5-7-13(14(11)18(15)25)20-19(26)23-24(3)4/h5-8H,1-4H3,(H,21,22)(H2,20,23,26).
What are the key properties of 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea?
1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea has a molecular weight of 381.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea is sourced from PubChem (CID 5330030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).