N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H18F3N5O — CID 95850098

IUPACN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C14H18F3N5O/c1-8-5-10(3)22(19-8)7-9(2)18-13(23)11-6-12(14(15,16)17)20-21(11)4/h5-6,9H,7H2,1-4H3,(H,18,23)/t9-/m0/s1
InChIKeyGMIDCDKGFSGTDX-VIFPVBQESA-N
MW329.33 g/mol
LogP2.07
Rot. Bonds4

About N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 95850098) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID95850098
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C14H18F3N5O/c1-8-5-10(3)22(19-8)7-9(2)18-13(23)11-6-12(14(15,16)17)20-21(11)4/h5-6,9H,7H2,1-4H3,(H,18,23)/t9-/m0/s1
InChIKeyGMIDCDKGFSGTDX-VIFPVBQESA-N
XLogP2.07
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 95850098) is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GMIDCDKGFSGTDX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-8-5-10(3)22(19-8)7-9(2)18-13(23)11-6-12(14(15,16)17)20-21(11)4/h5-6,9H,7H2,1-4H3,(H,18,23)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 95850098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).