1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea

C15H22F3N7O — CID 72916332

IUPAC1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)nn1
InChIInChI=1S/C15H22F3N7O/c1-4-5-24-9-13(21-23-24)20-14(26)19-7-10(2)8-25-12(15(16,17)18)6-11(3)22-25/h6,9-10H,4-5,7-8H2,1-3H3,(H2,19,20,26)
InChIKeyDJVKWISOGSWPTE-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.67
Rot. Bonds7

About 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea

1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea (PubChem CID 72916332) has the molecular formula C15H22F3N7O and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea
PubChem CID72916332
Molecular FormulaC15H22F3N7O
Molecular Weight373.38 g/mol
Exact Mass373.18
IUPAC Name1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)nn1
InChIInChI=1S/C15H22F3N7O/c1-4-5-24-9-13(21-23-24)20-14(26)19-7-10(2)8-25-12(15(16,17)18)6-11(3)22-25/h6,9-10H,4-5,7-8H2,1-3H3,(H2,19,20,26)
InChIKeyDJVKWISOGSWPTE-UHFFFAOYSA-N
XLogP2.67
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(1-methyl-1H-1,2,3-triazol-4-yl)acetamide
CID 46988180
1-(2,5-Dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 47363757
1-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(1-methyltriazol-4-yl)urea
CID 125166311
1-[(3-Ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 136555127
N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 138025244
1-(3-Methyltriazol-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
CID 138025248
N~1~-(1-Methyl-1H-pyrazol-3-YL)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propanamide
CID 4772255
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19516679
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19518192
N-(1-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519255
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19519543
N-(1-methylpyrazol-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521989

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea?
The IUPAC name of 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea (CID 72916332) is 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea.
What is the SMILES notation for 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea?
The canonical SMILES for 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea is CCCn1cc(NC(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)nn1.
What is the InChIKey of 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea?
The InChIKey is DJVKWISOGSWPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N7O/c1-4-5-24-9-13(21-23-24)20-14(26)19-7-10(2)8-25-12(15(16,17)18)6-11(3)22-25/h6,9-10H,4-5,7-8H2,1-3H3,(H2,19,20,26).
What are the key properties of 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea?
1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea has a molecular weight of 373.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-propyltriazol-4-yl)urea is sourced from PubChem (CID 72916332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).