1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea

C9H16N4O — CID 115581872

IUPAC1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea
SMILESCCn1cc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C9H16N4O/c1-4-13-6-8(5-10-13)12-9(14)11-7(2)3/h5-7H,4H2,1-3H3,(H2,11,12,14)
InChIKeyRMLQMEAHSDFGOB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.43
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea

1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea (PubChem CID 115581872) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea
PubChem CID115581872
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea
SMILESCCn1cc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C9H16N4O/c1-4-13-6-8(5-10-13)12-9(14)11-7(2)3/h5-7H,4H2,1-3H3,(H2,11,12,14)
InChIKeyRMLQMEAHSDFGOB-UHFFFAOYSA-N
XLogP1.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea (CID 115581872) is 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea is CCn1cc(NC(=O)NC(C)C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea?
The InChIKey is RMLQMEAHSDFGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-13-6-8(5-10-13)12-9(14)11-7(2)3/h5-7H,4H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea?
1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea has a molecular weight of 196.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 115581872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).