1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

C23H24F3N5O — CID 42687416

IUPAC1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O/c1-15-20(28-22(32)27-18-9-7-17(8-10-18)23(24,25)26)21(30-29-15)16-5-11-19(12-6-16)31-13-3-2-4-14-31/h5-12H,2-4,13-14H2,1H3,(H,29,30)(H2,27,28,32)
InChIKeyXFTUEDRHMZGCGZ-UHFFFAOYSA-N
MW443.47 g/mol
LogP6.04
Rot. Bonds4

About 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 42687416) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID42687416
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O/c1-15-20(28-22(32)27-18-9-7-17(8-10-18)23(24,25)26)21(30-29-15)16-5-11-19(12-6-16)31-13-3-2-4-14-31/h5-12H,2-4,13-14H2,1H3,(H,29,30)(H2,27,28,32)
InChIKeyXFTUEDRHMZGCGZ-UHFFFAOYSA-N
XLogP6.04
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874354
4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686466
N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686470
2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide
CID 42686510
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 110695203
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507381
N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
CID 42874128
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate
CID 42686484

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 42687416) is 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is Cc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is XFTUEDRHMZGCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-15-20(28-22(32)27-18-9-7-17(8-10-18)23(24,25)26)21(30-29-15)16-5-11-19(12-6-16)31-13-3-2-4-14-31/h5-12H,2-4,13-14H2,1H3,(H,29,30)(H2,27,28,32).
What are the key properties of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 443.47 g/mol, XLogP of 6.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42687416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).