1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea

C9H16N4O2 — CID 47200192

IUPAC1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea
SMILESCCn1cc(NC(=O)NCC(C)O)cn1
InChIInChI=1S/C9H16N4O2/c1-3-13-6-8(5-11-13)12-9(15)10-4-7(2)14/h5-7,14H,3-4H2,1-2H3,(H2,10,12,15)
InChIKeyTXDQKHUNHCSCLP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.41
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea

1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea (PubChem CID 47200192) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea
PubChem CID47200192
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea
SMILESCCn1cc(NC(=O)NCC(C)O)cn1
InChIInChI=1S/C9H16N4O2/c1-3-13-6-8(5-11-13)12-9(15)10-4-7(2)14/h5-7,14H,3-4H2,1-2H3,(H2,10,12,15)
InChIKeyTXDQKHUNHCSCLP-UHFFFAOYSA-N
XLogP0.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea (CID 47200192) is 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea is CCn1cc(NC(=O)NCC(C)O)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea?
The InChIKey is TXDQKHUNHCSCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-13-6-8(5-11-13)12-9(15)10-4-7(2)14/h5-7,14H,3-4H2,1-2H3,(H2,10,12,15).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea?
1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea has a molecular weight of 212.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 47200192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).