1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea

C8H14N4O — CID 46397550

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea
SMILESCc1n[nH]c(C)c1C(C)NC(N)=O
InChIInChI=1S/C8H14N4O/c1-4(10-8(9)13)7-5(2)11-12-6(7)3/h4H,1-3H3,(H,11,12)(H3,9,10,13)
InChIKeyVFUKRCHDRSPJGS-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.76
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea

1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea (PubChem CID 46397550) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea
PubChem CID46397550
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea
SMILESCc1n[nH]c(C)c1C(C)NC(N)=O
InChIInChI=1S/C8H14N4O/c1-4(10-8(9)13)7-5(2)11-12-6(7)3/h4H,1-3H3,(H,11,12)(H3,9,10,13)
InChIKeyVFUKRCHDRSPJGS-UHFFFAOYSA-N
XLogP0.76
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea (CID 46397550) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea is Cc1n[nH]c(C)c1C(C)NC(N)=O.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea?
The InChIKey is VFUKRCHDRSPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4(10-8(9)13)7-5(2)11-12-6(7)3/h4H,1-3H3,(H,11,12)(H3,9,10,13).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea has a molecular weight of 182.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylurea is sourced from PubChem (CID 46397550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).