2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

C9H12F3N3O — CID 19328076

IUPAC2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-7-5-14-15(6-7)4-2-3-13-8(16)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,16)
InChIKeyPCBHZJQINUDYCN-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.26
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19328076) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
PubChem CID19328076
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-7-5-14-15(6-7)4-2-3-13-8(16)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,16)
InChIKeyPCBHZJQINUDYCN-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 60146845
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
1-(4-Methyl-1H-pyrazol-1-yl)ethanone
CID 57753203
methyl({[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl})amine
CID 62729927
2-methyl-3-(4-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 64176280
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylmethanamine;hydrochloride
CID 177800615
5-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-1,5-diazacycloundecan-2-one
CID 110201428
2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49670618
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 51093456

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (CID 19328076) is 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is Cc1cnn(CCCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is PCBHZJQINUDYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-7-5-14-15(6-7)4-2-3-13-8(16)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,16).
What are the key properties of 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 235.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19328076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).