1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea

C19H24N4O2 — CID 71982725

IUPAC1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea
SMILESCCn1nc(C)c(CNC(=O)N(C)Cc2cc3ccccc3o2)c1C
InChIInChI=1S/C19H24N4O2/c1-5-23-14(3)17(13(2)21-23)11-20-19(24)22(4)12-16-10-15-8-6-7-9-18(15)25-16/h6-10H,5,11-12H2,1-4H3,(H,20,24)
InChIKeyPCPQCVVECWVCCJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.61
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea

1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea (PubChem CID 71982725) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea
PubChem CID71982725
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea
SMILESCCn1nc(C)c(CNC(=O)N(C)Cc2cc3ccccc3o2)c1C
InChIInChI=1S/C19H24N4O2/c1-5-23-14(3)17(13(2)21-23)11-20-19(24)22(4)12-16-10-15-8-6-7-9-18(15)25-16/h6-10H,5,11-12H2,1-4H3,(H,20,24)
InChIKeyPCPQCVVECWVCCJ-UHFFFAOYSA-N
XLogP3.61
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea (CID 71982725) is 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea is CCn1nc(C)c(CNC(=O)N(C)Cc2cc3ccccc3o2)c1C.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea?
The InChIKey is PCPQCVVECWVCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-23-14(3)17(13(2)21-23)11-20-19(24)22(4)12-16-10-15-8-6-7-9-18(15)25-16/h6-10H,5,11-12H2,1-4H3,(H,20,24).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea?
1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea has a molecular weight of 340.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 71982725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).