1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea

C24H22FN5O — CID 42684976

IUPAC1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea
SMILESNc1c(NC(=O)NCCc2ccccc2)c(-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN5O/c25-19-11-13-20(14-12-19)30-23(26)22(21(29-30)18-9-5-2-6-10-18)28-24(31)27-16-15-17-7-3-1-4-8-17/h1-14H,15-16,26H2,(H2,27,28,31)
InChIKeyACIVPRUSIQSHFF-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.62
Rot. Bonds6

About 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea

1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea (PubChem CID 42684976) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea
PubChem CID42684976
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea
SMILESNc1c(NC(=O)NCCc2ccccc2)c(-c2ccccc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN5O/c25-19-11-13-20(14-12-19)30-23(26)22(21(29-30)18-9-5-2-6-10-18)28-24(31)27-16-15-17-7-3-1-4-8-17/h1-14H,15-16,26H2,(H2,27,28,31)
InChIKeyACIVPRUSIQSHFF-UHFFFAOYSA-N
XLogP4.62
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea (CID 42684976) is 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea is Nc1c(NC(=O)NCCc2ccccc2)c(-c2ccccc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea?
The InChIKey is ACIVPRUSIQSHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-19-11-13-20(14-12-19)30-23(26)22(21(29-30)18-9-5-2-6-10-18)28-24(31)27-16-15-17-7-3-1-4-8-17/h1-14H,15-16,26H2,(H2,27,28,31).
What are the key properties of 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea?
1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea has a molecular weight of 415.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 42684976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).