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

C16H19N5O2 — CID 18188258

IUPAC1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea
SMILESCC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)NN(C)C)cccc1-2
InChIInChI=1S/C16H19N5O2/c1-8(2)13-12-14(19-18-13)9-6-5-7-10(11(9)15(12)22)17-16(23)20-21(3)4/h5-8H,1-4H3,(H,18,19)(H2,17,20,23)
InChIKeyJFCAWDWLFIOXGJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.34
Rot. Bonds3

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

1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea (PubChem CID 18188258) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea
PubChem CID18188258
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea
SMILESCC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)NN(C)C)cccc1-2
InChIInChI=1S/C16H19N5O2/c1-8(2)13-12-14(19-18-13)9-6-5-7-10(11(9)15(12)22)17-16(23)20-21(3)4/h5-8H,1-4H3,(H,18,19)(H2,17,20,23)
InChIKeyJFCAWDWLFIOXGJ-UHFFFAOYSA-N
XLogP2.34
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea?
The IUPAC name of 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea (CID 18188258) is 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea.
What is the SMILES notation for 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea?
The canonical SMILES for 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea is CC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)NN(C)C)cccc1-2.
What is the InChIKey of 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea?
The InChIKey is JFCAWDWLFIOXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-8(2)13-12-14(19-18-13)9-6-5-7-10(11(9)15(12)22)17-16(23)20-21(3)4/h5-8H,1-4H3,(H,18,19)(H2,17,20,23).
What are the key properties of 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea?
1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea has a molecular weight of 313.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-oxo-3-propan-2-yl-2H-indeno[1,2-c]pyrazol-5-yl)urea is sourced from PubChem (CID 18188258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).