[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea

C11H14N4O2 — CID 51970780

IUPAC[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea
SMILESCc1n[nH]c(C)c1[C@H](NC(N)=O)c1ccco1
InChIInChI=1S/C11H14N4O2/c1-6-9(7(2)15-14-6)10(13-11(12)16)8-4-3-5-17-8/h3-5,10H,1-2H3,(H,14,15)(H3,12,13,16)/t10-/m1/s1
InChIKeyRBFOAOXUEBJMDS-SNVBAGLBSA-N
MW234.26 g/mol
LogP1.38
Rot. Bonds3

About [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea

[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea (PubChem CID 51970780) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea.

Molecular Properties

Compound Name[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea
PubChem CID51970780
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea
SMILESCc1n[nH]c(C)c1[C@H](NC(N)=O)c1ccco1
InChIInChI=1S/C11H14N4O2/c1-6-9(7(2)15-14-6)10(13-11(12)16)8-4-3-5-17-8/h3-5,10H,1-2H3,(H,14,15)(H3,12,13,16)/t10-/m1/s1
InChIKeyRBFOAOXUEBJMDS-SNVBAGLBSA-N
XLogP1.38
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea?
The IUPAC name of [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea (CID 51970780) is [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea.
What is the SMILES notation for [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea?
The canonical SMILES for [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea is Cc1n[nH]c(C)c1[C@H](NC(N)=O)c1ccco1.
What is the InChIKey of [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea?
The InChIKey is RBFOAOXUEBJMDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-9(7(2)15-14-6)10(13-11(12)16)8-4-3-5-17-8/h3-5,10H,1-2H3,(H,14,15)(H3,12,13,16)/t10-/m1/s1.
What are the key properties of [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea?
[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea has a molecular weight of 234.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea is sourced from PubChem (CID 51970780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).