2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

C11H17F3N4O — CID 79811435

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7-8(6-17-18-7)4-3-5-16-9(19)10(2,15)11(12,13)14/h6H,3-5,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGUTIKIVYACZPSL-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.05
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (PubChem CID 79811435) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
PubChem CID79811435
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7-8(6-17-18-7)4-3-5-16-9(19)10(2,15)11(12,13)14/h6H,3-5,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGUTIKIVYACZPSL-UHFFFAOYSA-N
XLogP1.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 53505081
1-(1-acetylpiperidin-4-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 53505690
4-acetyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,4-diazepane-1-carboxamide
CID 53517040
3-sulfanyl-N-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]propanamide
CID 177680893
2-{[(3-tert-butyl-1H-pyrazol-4-yl)methyl]amino}-1-(pyrrolidin-1-yl)ethan-1-one
CID 47331643
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500
1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 95582588
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]acetamide
CID 168985001
5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 169095640
1-(cyclopropylmethyl)-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-3-(trifluoromethyl)pyridin-2-one
CID 169095660
N-[2-(4-fluoro-1H-pyrazol-5-yl)propan-2-yl]propanamide
CID 169745846

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (CID 79811435) is 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is Cc1[nH]ncc1CCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The InChIKey is GUTIKIVYACZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-7-8(6-17-18-7)4-3-5-16-9(19)10(2,15)11(12,13)14/h6H,3-5,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide has a molecular weight of 278.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 79811435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).