N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

C20H35F3N4O — CID 19521888

IUPACN-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)Cn1nc(C)cc1C(F)(F)F
InChIInChI=1S/C20H35F3N4O/c1-5-7-9-11-26(12-10-8-6-2)14-17(4)24-19(28)15-27-18(20(21,22)23)13-16(3)25-27/h13,17H,5-12,14-15H2,1-4H3,(H,24,28)
InChIKeyCZIDIMCYXDQLHS-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.40
Rot. Bonds13

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

N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19521888) has the molecular formula C20H35F3N4O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19521888
Molecular FormulaC20H35F3N4O
Molecular Weight404.52 g/mol
Exact Mass404.28
IUPAC NameN-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)Cn1nc(C)cc1C(F)(F)F
InChIInChI=1S/C20H35F3N4O/c1-5-7-9-11-26(12-10-8-6-2)14-17(4)24-19(28)15-27-18(20(21,22)23)13-16(3)25-27/h13,17H,5-12,14-15H2,1-4H3,(H,24,28)
InChIKeyCZIDIMCYXDQLHS-UHFFFAOYSA-N
XLogP4.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521887
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide
CID 19517493
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide
CID 19527102
N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19529940
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19270531
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 19522045
N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521876
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide
CID 19521875
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19539421
N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516578
N-[1-(dipentylamino)propan-2-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534421

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19521888) is N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is CCCCCN(CCCCC)CC(C)NC(=O)Cn1nc(C)cc1C(F)(F)F.
What is the InChIKey of N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CZIDIMCYXDQLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F3N4O/c1-5-7-9-11-26(12-10-8-6-2)14-17(4)24-19(28)15-27-18(20(21,22)23)13-16(3)25-27/h13,17H,5-12,14-15H2,1-4H3,(H,24,28).
What are the key properties of N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 4.40, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19521888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).