1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C13H19N5OS — CID 71893166

IUPAC1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCN(C)C(CNC(=O)NCc1ccn[nH]1)c1ccsc1
InChIInChI=1S/C13H19N5OS/c1-18(2)12(10-4-6-20-9-10)8-15-13(19)14-7-11-3-5-16-17-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H2,14,15,19)
InChIKeyNCOCXUOCXYMBEZ-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.57
Rot. Bonds6

About 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 71893166) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID71893166
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCN(C)C(CNC(=O)NCc1ccn[nH]1)c1ccsc1
InChIInChI=1S/C13H19N5OS/c1-18(2)12(10-4-6-20-9-10)8-15-13(19)14-7-11-3-5-16-17-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H2,14,15,19)
InChIKeyNCOCXUOCXYMBEZ-UHFFFAOYSA-N
XLogP1.57
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 71893166) is 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is CN(C)C(CNC(=O)NCc1ccn[nH]1)c1ccsc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is NCOCXUOCXYMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-18(2)12(10-4-6-20-9-10)8-15-13(19)14-7-11-3-5-16-17-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H2,14,15,19).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 293.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 71893166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).