1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea

C9H14N4O — CID 174442006

IUPAC1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea
SMILESCCN(C(N)=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C9H14N4O/c1-2-13(9(10)14)8-5-7(11-12-8)6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,12)
InChIKeyUTFFJIOUEPUUGB-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.19
Rot. Bonds3

About 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea

1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea (PubChem CID 174442006) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea
PubChem CID174442006
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea
SMILESCCN(C(N)=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C9H14N4O/c1-2-13(9(10)14)8-5-7(11-12-8)6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,12)
InChIKeyUTFFJIOUEPUUGB-UHFFFAOYSA-N
XLogP1.19
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea (CID 174442006) is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea is CCN(C(N)=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea?
The InChIKey is UTFFJIOUEPUUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-13(9(10)14)8-5-7(11-12-8)6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea?
1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea has a molecular weight of 194.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea is sourced from PubChem (CID 174442006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).