[(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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Related Compounds

4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
1-(furan-2-ylmethyl)-3-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 168291510
N-(furan-2-ylmethyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 8867965
3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46944203
3-(4-fluoro-2-methylphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49790577
N-Benzyl-3-(furan-2-YL)-N-methyl-1H-pyrazole-5-carboxamide
CID 20918213
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-furylmethyl)piperidine-3-carboxamide
CID 46986989
3-(3-fluoro-5-methylphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49789437
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51083524
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 53622052
1-cyclopropyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 71922256
(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
CID 118741349

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).