1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea

C11H20N4O2 — CID 110896414

IUPAC1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea
SMILESCCCN(CCO)C(=O)NCc1ccnn1C
InChIInChI=1S/C11H20N4O2/c1-3-6-15(7-8-16)11(17)12-9-10-4-5-13-14(10)2/h4-5,16H,3,6-9H2,1-2H3,(H,12,17)
InChIKeyZRDGIBOOBIQAMO-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.33
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea

1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea (PubChem CID 110896414) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea
PubChem CID110896414
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea
SMILESCCCN(CCO)C(=O)NCc1ccnn1C
InChIInChI=1S/C11H20N4O2/c1-3-6-15(7-8-16)11(17)12-9-10-4-5-13-14(10)2/h4-5,16H,3,6-9H2,1-2H3,(H,12,17)
InChIKeyZRDGIBOOBIQAMO-UHFFFAOYSA-N
XLogP0.33
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 63303421
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 55205366
3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910295
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 87007413
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
(1S,6R)-6-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 26871279
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326815

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea (CID 110896414) is 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea is CCCN(CCO)C(=O)NCc1ccnn1C.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea?
The InChIKey is ZRDGIBOOBIQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-6-15(7-8-16)11(17)12-9-10-4-5-13-14(10)2/h4-5,16H,3,6-9H2,1-2H3,(H,12,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea?
1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea has a molecular weight of 240.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(2-methylpyrazol-3-yl)methyl]-1-propylurea is sourced from PubChem (CID 110896414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).