1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C14H20N4O2 — CID 71990077

IUPAC1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCc1cc(CNC(=O)NC(C)c2cnn(C)c2)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-9-5-12(11(3)20-9)6-15-14(19)17-10(2)13-7-16-18(4)8-13/h5,7-8,10H,6H2,1-4H3,(H2,15,17,19)
InChIKeyKECKMZSQYNUQHX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.19
Rot. Bonds4

About 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 71990077) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID71990077
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCc1cc(CNC(=O)NC(C)c2cnn(C)c2)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-9-5-12(11(3)20-9)6-15-14(19)17-10(2)13-7-16-18(4)8-13/h5,7-8,10H,6H2,1-4H3,(H2,15,17,19)
InChIKeyKECKMZSQYNUQHX-UHFFFAOYSA-N
XLogP2.19
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 96518471
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 71869938
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481801
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]urea
CID 86952590
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86952267
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111335746
1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507020
1-[3-(4-chlorophenyl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 125130730
1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 146129464
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95932504

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 71990077) is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is Cc1cc(CNC(=O)NC(C)c2cnn(C)c2)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is KECKMZSQYNUQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-5-12(11(3)20-9)6-15-14(19)17-10(2)13-7-16-18(4)8-13/h5,7-8,10H,6H2,1-4H3,(H2,15,17,19).
What are the key properties of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71990077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).