N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid

C24H27F3N4O3 — CID 166363408

IUPACN-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CC(NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)C(C)(C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H26N4O.C2HF3O2/c1-4-26-13-20(22(2,3)14-26)23-21(27)19-12-18(24-25-19)17-10-9-15-7-5-6-8-16(15)11-17;3-2(4,5)1(6)7/h5-12,20H,4,13-14H2,1-3H3,(H,23,27)(H,24,25);(H,6,7)
InChIKeyLAMQZKXWVKTAKT-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.32
Rot. Bonds4

About N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid

N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166363408) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166363408
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CC(NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)C(C)(C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H26N4O.C2HF3O2/c1-4-26-13-20(22(2,3)14-26)23-21(27)19-12-18(24-25-19)17-10-9-15-7-5-6-8-16(15)11-17;3-2(4,5)1(6)7/h5-12,20H,4,13-14H2,1-3H3,(H,23,27)(H,24,25);(H,6,7)
InChIKeyLAMQZKXWVKTAKT-UHFFFAOYSA-N
XLogP4.32
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3a,6a-dimethyl-5-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,6-dihydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166249068
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
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(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
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CID 167795065
7-(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
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(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
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CID 1185508
N-[2-(5-methylfuran-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383620
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154842099
1-methyl-N-[(1S)-1-(3-naphthalen-2-yl-1H-1,2,4-triazol-5-yl)-7-oxononyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171930621

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 166363408) is N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid is CCN1CC(NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)C(C)(C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LAMQZKXWVKTAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.C2HF3O2/c1-4-26-13-20(22(2,3)14-26)23-21(27)19-12-18(24-25-19)17-10-9-15-7-5-6-8-16(15)11-17;3-2(4,5)1(6)7/h5-12,20H,4,13-14H2,1-3H3,(H,23,27)(H,24,25);(H,6,7).
What are the key properties of N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid?
N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 476.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166363408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).