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

C6H10N4O — CID 22478018

IUPAC1,1-dimethyl-3-(1H-pyrazol-4-yl)urea
SMILESCN(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H10N4O/c1-10(2)6(11)9-5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)(H,9,11)
InChIKeySVKQEAHSVPSGGJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.50
Rot. Bonds1

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

1,1-dimethyl-3-(1H-pyrazol-4-yl)urea (PubChem CID 22478018) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1H-pyrazol-4-yl)urea
PubChem CID22478018
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1,1-dimethyl-3-(1H-pyrazol-4-yl)urea
SMILESCN(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H10N4O/c1-10(2)6(11)9-5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)(H,9,11)
InChIKeySVKQEAHSVPSGGJ-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
N-(4-pyrazolyl)urea
CID 43540216
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 56788684
1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
CID 71859104
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
1-butyl-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045102
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 72046986
N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141335326

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea (CID 22478018) is 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea is CN(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea?
The InChIKey is SVKQEAHSVPSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-10(2)6(11)9-5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)(H,9,11).
What are the key properties of 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea?
1,1-dimethyl-3-(1H-pyrazol-4-yl)urea has a molecular weight of 154.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 22478018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).