5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide

C18H22F3N5O — CID 118020362

IUPAC5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1cc(N2CCC(c3cc(N)n[nH]3)CC2)ccc1C(F)(F)F
InChIInChI=1S/C18H22F3N5O/c1-25(2)17(27)13-9-12(3-4-14(13)18(19,20)21)26-7-5-11(6-8-26)15-10-16(22)24-23-15/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24)
InChIKeyUYEXECISKPRJPV-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.10
Rot. Bonds3

About 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide

5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide (PubChem CID 118020362) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide
PubChem CID118020362
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1cc(N2CCC(c3cc(N)n[nH]3)CC2)ccc1C(F)(F)F
InChIInChI=1S/C18H22F3N5O/c1-25(2)17(27)13-9-12(3-4-14(13)18(19,20)21)26-7-5-11(6-8-26)15-10-16(22)24-23-15/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24)
InChIKeyUYEXECISKPRJPV-UHFFFAOYSA-N
XLogP3.10
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide (CID 118020362) is 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide is CN(C)C(=O)c1cc(N2CCC(c3cc(N)n[nH]3)CC2)ccc1C(F)(F)F.
What is the InChIKey of 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide?
The InChIKey is UYEXECISKPRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-25(2)17(27)13-9-12(3-4-14(13)18(19,20)21)26-7-5-11(6-8-26)15-10-16(22)24-23-15/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24).
What are the key properties of 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide?
5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide has a molecular weight of 381.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118020362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).