1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea

C12H21N5O — CID 99703741

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C12H21N5O/c1-10(2)7-13-12(18)15-11-8-14-17(9-11)6-5-16(3)4/h8-9H,1,5-7H2,2-4H3,(H2,13,15,18)
InChIKeyOQYFOJSDRMDLPG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea (PubChem CID 99703741) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea
PubChem CID99703741
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C12H21N5O/c1-10(2)7-13-12(18)15-11-8-14-17(9-11)6-5-16(3)4/h8-9H,1,5-7H2,2-4H3,(H2,13,15,18)
InChIKeyOQYFOJSDRMDLPG-UHFFFAOYSA-N
XLogP1.14
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea (CID 99703741) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea is C=C(C)CNC(=O)Nc1cnn(CCN(C)C)c1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea?
The InChIKey is OQYFOJSDRMDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(2)7-13-12(18)15-11-8-14-17(9-11)6-5-16(3)4/h8-9H,1,5-7H2,2-4H3,(H2,13,15,18).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 99703741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).