N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide

C22H25FN4O — CID 110307168

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3ccc(N(C)C)cc3)nn2C)ccc1F
InChIInChI=1S/C22H25FN4O/c1-15-13-17(7-10-19(15)23)21-14-20(25-27(21)4)22(28)24-12-11-16-5-8-18(9-6-16)26(2)3/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)
InChIKeySNFYDFJHSWPMBV-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.57
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110307168) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110307168
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3ccc(N(C)C)cc3)nn2C)ccc1F
InChIInChI=1S/C22H25FN4O/c1-15-13-17(7-10-19(15)23)21-14-20(25-27(21)4)22(28)24-12-11-16-5-8-18(9-6-16)26(2)3/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)
InChIKeySNFYDFJHSWPMBV-UHFFFAOYSA-N
XLogP3.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
CID 110307605
5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
CID 110311220
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 110427015
5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide
CID 110309728
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110299626
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 110307168) is N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide is Cc1cc(-c2cc(C(=O)NCCc3ccc(N(C)C)cc3)nn2C)ccc1F.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is SNFYDFJHSWPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-15-13-17(7-10-19(15)23)21-14-20(25-27(21)4)22(28)24-12-11-16-5-8-18(9-6-16)26(2)3/h5-10,13-14H,11-12H2,1-4H3,(H,24,28).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110307168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).