1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea

C22H26N4O — CID 10948445

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea
SMILESCC(C)(C)c1cc(NC(=O)NCCc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-22(2,3)19-16-20(26(25-19)18-12-8-5-9-13-18)24-21(27)23-15-14-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H2,23,24,27)
InChIKeyBHMOXCCTQPBFHP-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.53
Rot. Bonds5

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea (PubChem CID 10948445) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea
PubChem CID10948445
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea
SMILESCC(C)(C)c1cc(NC(=O)NCCc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-22(2,3)19-16-20(26(25-19)18-12-8-5-9-13-18)24-21(27)23-15-14-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H2,23,24,27)
InChIKeyBHMOXCCTQPBFHP-UHFFFAOYSA-N
XLogP4.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ML297
CID 56642816
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-naphthalen-1-ylurea
CID 23646852
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 25174101
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea (CID 10948445) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea is CC(C)(C)c1cc(NC(=O)NCCc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea?
The InChIKey is BHMOXCCTQPBFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(2,3)19-16-20(26(25-19)18-12-8-5-9-13-18)24-21(27)23-15-14-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea has a molecular weight of 362.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 10948445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).