2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide

C16H25F3N4O — CID 4771190

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide
SMILESCCN(CC)CC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H25F3N4O/c1-4-22(5-2)9-11(3)20-15(24)10-23-13(12-6-7-12)8-14(21-23)16(17,18)19/h8,11-12H,4-7,9-10H2,1-3H3,(H,20,24)
InChIKeyIDYWNHWQGPSBCW-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.63
Rot. Bonds8

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide (PubChem CID 4771190) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide
PubChem CID4771190
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide
SMILESCCN(CC)CC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H25F3N4O/c1-4-22(5-2)9-11(3)20-15(24)10-23-13(12-6-7-12)8-14(21-23)16(17,18)19/h8,11-12H,4-7,9-10H2,1-3H3,(H,20,24)
InChIKeyIDYWNHWQGPSBCW-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide (CID 4771190) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide is CCN(CC)CC(C)NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide?
The InChIKey is IDYWNHWQGPSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-4-22(5-2)9-11(3)20-15(24)10-23-13(12-6-7-12)8-14(21-23)16(17,18)19/h8,11-12H,4-7,9-10H2,1-3H3,(H,20,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]acetamide is sourced from PubChem (CID 4771190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).