5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide

C13H20F3N3O — CID 164638120

IUPAC5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCC[C@@H](CC(F)(F)F)NC(=O)c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C13H20F3N3O/c1-5-9(6-13(14,15)16)17-12(20)10-8(4)18-19-11(10)7(2)3/h7,9H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyBGYBWOPKZBCWNE-VIFPVBQESA-N
MW291.32 g/mol
LogP3.30
Rot. Bonds5

About 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide

5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 164638120) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID164638120
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCC[C@@H](CC(F)(F)F)NC(=O)c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C13H20F3N3O/c1-5-9(6-13(14,15)16)17-12(20)10-8(4)18-19-11(10)7(2)3/h7,9H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyBGYBWOPKZBCWNE-VIFPVBQESA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide (CID 164638120) is 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide is CC[C@@H](CC(F)(F)F)NC(=O)c1c(C(C)C)n[nH]c1C.
What is the InChIKey of 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is BGYBWOPKZBCWNE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-5-9(6-13(14,15)16)17-12(20)10-8(4)18-19-11(10)7(2)3/h7,9H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t9-/m0/s1.
What are the key properties of 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide?
5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-N-[(3S)-1,1,1-trifluoropentan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 164638120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).