3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea

C17H22N4O — CID 75493458

IUPAC3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea
SMILESCC(C1CC1)N(C)C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13(15-8-9-15)20(2)17(22)18-16-10-11-21(19-16)12-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,18,19,22)
InChIKeyUUZMWOUDXTVUFQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.19
Rot. Bonds5

About 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea

3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea (PubChem CID 75493458) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea.

Molecular Properties

Compound Name3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea
PubChem CID75493458
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea
SMILESCC(C1CC1)N(C)C(=O)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-13(15-8-9-15)20(2)17(22)18-16-10-11-21(19-16)12-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,18,19,22)
InChIKeyUUZMWOUDXTVUFQ-UHFFFAOYSA-N
XLogP3.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea?
The IUPAC name of 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea (CID 75493458) is 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea.
What is the SMILES notation for 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea?
The canonical SMILES for 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea is CC(C1CC1)N(C)C(=O)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea?
The InChIKey is UUZMWOUDXTVUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(15-8-9-15)20(2)17(22)18-16-10-11-21(19-16)12-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,18,19,22).
What are the key properties of 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea?
3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea has a molecular weight of 298.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea is sourced from PubChem (CID 75493458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).