1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea

C14H27N5O — CID 75500177

IUPAC1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea
SMILESCC(C)c1cc(NC(=O)NCCN(C)C)n(C(C)C)n1
InChIInChI=1S/C14H27N5O/c1-10(2)12-9-13(19(17-12)11(3)4)16-14(20)15-7-8-18(5)6/h9-11H,7-8H2,1-6H3,(H2,15,16,20)
InChIKeyAFZCMLCTGFZTKL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea

1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea (PubChem CID 75500177) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea
PubChem CID75500177
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea
SMILESCC(C)c1cc(NC(=O)NCCN(C)C)n(C(C)C)n1
InChIInChI=1S/C14H27N5O/c1-10(2)12-9-13(19(17-12)11(3)4)16-14(20)15-7-8-18(5)6/h9-11H,7-8H2,1-6H3,(H2,15,16,20)
InChIKeyAFZCMLCTGFZTKL-UHFFFAOYSA-N
XLogP2.27
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea (CID 75500177) is 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea is CC(C)c1cc(NC(=O)NCCN(C)C)n(C(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea?
The InChIKey is AFZCMLCTGFZTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-10(2)12-9-13(19(17-12)11(3)4)16-14(20)15-7-8-18(5)6/h9-11H,7-8H2,1-6H3,(H2,15,16,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea?
1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea has a molecular weight of 281.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea is sourced from PubChem (CID 75500177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).