1,3-dimethyl-1-(1H-pyrazol-4-yl)urea

C6H10N4O — CID 67438777

IUPAC1,3-dimethyl-1-(1H-pyrazol-4-yl)urea
SMILESCNC(=O)N(C)c1cn[nH]c1
InChIInChI=1S/C6H10N4O/c1-7-6(11)10(2)5-3-8-9-4-5/h3-4H,1-2H3,(H,7,11)(H,8,9)
InChIKeyMGDSEJZNZBOATE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.19
Rot. Bonds1

About 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea

1,3-dimethyl-1-(1H-pyrazol-4-yl)urea (PubChem CID 67438777) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(1H-pyrazol-4-yl)urea
PubChem CID67438777
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1,3-dimethyl-1-(1H-pyrazol-4-yl)urea
SMILESCNC(=O)N(C)c1cn[nH]c1
InChIInChI=1S/C6H10N4O/c1-7-6(11)10(2)5-3-8-9-4-5/h3-4H,1-2H3,(H,7,11)(H,8,9)
InChIKeyMGDSEJZNZBOATE-UHFFFAOYSA-N
XLogP0.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea (CID 67438777) is 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea is CNC(=O)N(C)c1cn[nH]c1.
What is the InChIKey of 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea?
The InChIKey is MGDSEJZNZBOATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-7-6(11)10(2)5-3-8-9-4-5/h3-4H,1-2H3,(H,7,11)(H,8,9).
What are the key properties of 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea?
1,3-dimethyl-1-(1H-pyrazol-4-yl)urea has a molecular weight of 154.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 67438777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).