5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide

C25H25ClN4O — CID 158453411

IUPAC5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c2ccccc12
InChIInChI=1S/C25H25ClN4O/c1-30(2)23-13-11-17(19-8-3-4-9-20(19)23)10-12-21-24(25(27)31)22(29-28-21)15-16-6-5-7-18(26)14-16/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyBCABZVATVVPOQL-UHFFFAOYSA-N
MW432.96 g/mol
LogP4.76
Rot. Bonds7

About 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide

5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 158453411) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID158453411
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c2ccccc12
InChIInChI=1S/C25H25ClN4O/c1-30(2)23-13-11-17(19-8-3-4-9-20(19)23)10-12-21-24(25(27)31)22(29-28-21)15-16-6-5-7-18(26)14-16/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,27,31)(H,28,29)
InChIKeyBCABZVATVVPOQL-UHFFFAOYSA-N
XLogP4.76
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 158216481
5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 160822484
5-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 161490750
5-[(3-chlorophenyl)methyl]-3-[2-[3-chloro-5-(trifluoromethyl)-2H-pyrrol-4-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 158137754
5-[(3-chlorophenyl)methyl]-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159510070
4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 68662294
5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 149337308
5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 161419116
5-[(3-chlorophenyl)methyl]-3-[[1-(methylidene-oxo-phenyl-λ6-sulfanyl)pyrrol-2-yl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 158158675
3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 149128882
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide (CID 158453411) is 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide is CN(C)c1ccc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c2ccccc12.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BCABZVATVVPOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-30(2)23-13-11-17(19-8-3-4-9-20(19)23)10-12-21-24(25(27)31)22(29-28-21)15-16-6-5-7-18(26)14-16/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,27,31)(H,28,29).
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide?
5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 432.96 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158453411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).