1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea

C20H19FN4O — CID 71812970

IUPAC1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cc(C2CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H19FN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26)
InChIKeyWLIAKLNGIGCABX-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.59
Rot. Bonds5

About 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea

1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea (PubChem CID 71812970) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea
PubChem CID71812970
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cc(C2CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H19FN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26)
InChIKeyWLIAKLNGIGCABX-UHFFFAOYSA-N
XLogP4.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea (CID 71812970) is 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1cc(C2CC2)nn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
The InChIKey is WLIAKLNGIGCABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26).
What are the key properties of 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea has a molecular weight of 350.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 71812970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).