1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea

C10H18N4O2 — CID 86789924

IUPAC1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea
SMILESCC(C)N(CCO)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C10H18N4O2/c1-8(2)14(4-5-15)10(16)12-9-6-11-13(3)7-9/h6-8,15H,4-5H2,1-3H3,(H,12,16)
InChIKeyWVPAYSSLNUOCCL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.65
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea

1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea (PubChem CID 86789924) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea
PubChem CID86789924
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea
SMILESCC(C)N(CCO)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C10H18N4O2/c1-8(2)14(4-5-15)10(16)12-9-6-11-13(3)7-9/h6-8,15H,4-5H2,1-3H3,(H,12,16)
InChIKeyWVPAYSSLNUOCCL-UHFFFAOYSA-N
XLogP0.65
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea (CID 86789924) is 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea is CC(C)N(CCO)C(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea?
The InChIKey is WVPAYSSLNUOCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(2)14(4-5-15)10(16)12-9-6-11-13(3)7-9/h6-8,15H,4-5H2,1-3H3,(H,12,16).
What are the key properties of 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea?
1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea has a molecular weight of 226.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl)-1-propan-2-ylurea is sourced from PubChem (CID 86789924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).