1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea

C13H18N4O2 — CID 95336400

IUPAC1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCc1cc([C@H](C)NC(=O)Nc2ccn(C)n2)c(C)o1
InChIInChI=1S/C13H18N4O2/c1-8-7-11(10(3)19-8)9(2)14-13(18)15-12-5-6-17(4)16-12/h5-7,9H,1-4H3,(H2,14,15,16,18)/t9-/m0/s1
InChIKeyBJDBYWKQWUSRET-VIFPVBQESA-N
MW262.31 g/mol
LogP2.51
Rot. Bonds3

About 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea

1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 95336400) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID95336400
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCc1cc([C@H](C)NC(=O)Nc2ccn(C)n2)c(C)o1
InChIInChI=1S/C13H18N4O2/c1-8-7-11(10(3)19-8)9(2)14-13(18)15-12-5-6-17(4)16-12/h5-7,9H,1-4H3,(H2,14,15,16,18)/t9-/m0/s1
InChIKeyBJDBYWKQWUSRET-VIFPVBQESA-N
XLogP2.51
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-difluorophenyl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 78834721
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 86856166
4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
CID 95118026
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
CID 95129775
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86852234
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
CID 61206380
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 167878865
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(1-methylpyrazol-3-yl)urea
CID 111750934
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea (CID 95336400) is 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea is Cc1cc([C@H](C)NC(=O)Nc2ccn(C)n2)c(C)o1.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is BJDBYWKQWUSRET-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-7-11(10(3)19-8)9(2)14-13(18)15-12-5-6-17(4)16-12/h5-7,9H,1-4H3,(H2,14,15,16,18)/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea?
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 262.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 95336400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).