N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C18H20F3N5O — CID 8840552

IUPACN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1c(N)n[nH]c1CCCCCNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-6-4-5-12(9-13)10-16(27)24-8-3-1-2-7-15-14(11-22)17(23)26-25-15/h4-6,9H,1-3,7-8,10H2,(H,24,27)(H3,23,25,26)
InChIKeyZENLRHADTVQWSM-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.95
Rot. Bonds8

About N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 8840552) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID8840552
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC NameN-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1c(N)n[nH]c1CCCCCNC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-6-4-5-12(9-13)10-16(27)24-8-3-1-2-7-15-14(11-22)17(23)26-25-15/h4-6,9H,1-3,7-8,10H2,(H,24,27)(H3,23,25,26)
InChIKeyZENLRHADTVQWSM-UHFFFAOYSA-N
XLogP2.95
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-(1H-imidazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 115620119
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 11653462
2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide
CID 19797607
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 155953936
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
3-phenyl-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]-1H-pyrazole-5-carbohydrazide
CID 7907311
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 77094388
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 8840552) is N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide is N#Cc1c(N)n[nH]c1CCCCCNC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZENLRHADTVQWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)13-6-4-5-12(9-13)10-16(27)24-8-3-1-2-7-15-14(11-22)17(23)26-25-15/h4-6,9H,1-3,7-8,10H2,(H,24,27)(H3,23,25,26).
What are the key properties of N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8840552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).