1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea

C12H22N4O3 — CID 124874562

IUPAC1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)N[C@@H](CO)CCOC
InChIInChI=1S/C12H22N4O3/c1-3-7-16-11(4-6-13-16)15-12(18)14-10(9-17)5-8-19-2/h4,6,10,17H,3,5,7-9H2,1-2H3,(H2,14,15,18)/t10-/m1/s1
InChIKeyMGIBTCXVTPTYJI-SNVBAGLBSA-N
MW270.33 g/mol
LogP0.81
Rot. Bonds8

About 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea

1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea (PubChem CID 124874562) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea
PubChem CID124874562
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)N[C@@H](CO)CCOC
InChIInChI=1S/C12H22N4O3/c1-3-7-16-11(4-6-13-16)15-12(18)14-10(9-17)5-8-19-2/h4,6,10,17H,3,5,7-9H2,1-2H3,(H2,14,15,18)/t10-/m1/s1
InChIKeyMGIBTCXVTPTYJI-SNVBAGLBSA-N
XLogP0.81
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea (CID 124874562) is 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea is CCCn1nccc1NC(=O)N[C@@H](CO)CCOC.
What is the InChIKey of 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea?
The InChIKey is MGIBTCXVTPTYJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-7-16-11(4-6-13-16)15-12(18)14-10(9-17)5-8-19-2/h4,6,10,17H,3,5,7-9H2,1-2H3,(H2,14,15,18)/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea?
1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea has a molecular weight of 270.33 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea is sourced from PubChem (CID 124874562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).