1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea

C17H25N5O — CID 56792355

IUPAC1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(c2cnn(C)c2)N(C)C)c(C)c1
InChIInChI=1S/C17H25N5O/c1-12-6-7-15(13(2)8-12)20-17(23)18-10-16(21(3)4)14-9-19-22(5)11-14/h6-9,11,16H,10H2,1-5H3,(H2,18,20,23)
InChIKeyDKOPMISVNMCEQR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea

1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea (PubChem CID 56792355) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea
PubChem CID56792355
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(c2cnn(C)c2)N(C)C)c(C)c1
InChIInChI=1S/C17H25N5O/c1-12-6-7-15(13(2)8-12)20-17(23)18-10-16(21(3)4)14-9-19-22(5)11-14/h6-9,11,16H,10H2,1-5H3,(H2,18,20,23)
InChIKeyDKOPMISVNMCEQR-UHFFFAOYSA-N
XLogP2.46
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea (CID 56792355) is 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCC(c2cnn(C)c2)N(C)C)c(C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is DKOPMISVNMCEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-6-7-15(13(2)8-12)20-17(23)18-10-16(21(3)4)14-9-19-22(5)11-14/h6-9,11,16H,10H2,1-5H3,(H2,18,20,23).
What are the key properties of 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea?
1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 315.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 56792355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).