1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C15H22N4O3 — CID 111506172

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NCc2c(C)n[nH]c2C)o1
InChIInChI=1S/C15H22N4O3/c1-9-5-6-13(22-9)15(4,21)8-17-14(20)16-7-12-10(2)18-19-11(12)3/h5-6,21H,7-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyGZHQZGCCPXWWOB-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.63
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 111506172) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID111506172
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NCc2c(C)n[nH]c2C)o1
InChIInChI=1S/C15H22N4O3/c1-9-5-6-13(22-9)15(4,21)8-17-14(20)16-7-12-10(2)18-19-11(12)3/h5-6,21H,7-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyGZHQZGCCPXWWOB-UHFFFAOYSA-N
XLogP1.63
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 111506172) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is Cc1ccc(C(C)(O)CNC(=O)NCc2c(C)n[nH]c2C)o1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is GZHQZGCCPXWWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9-5-6-13(22-9)15(4,21)8-17-14(20)16-7-12-10(2)18-19-11(12)3/h5-6,21H,7-8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 306.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 111506172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).