N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C22H20FN5O — CID 19514464

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H20FN5O/c1-14-19(15(2)28(27-14)18-6-4-3-5-7-18)13-24-22(29)21-12-20(25-26-21)16-8-10-17(23)11-9-16/h3-12H,13H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyRJCGRDXUJXLUGQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.95
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514464) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19514464
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H20FN5O/c1-14-19(15(2)28(27-14)18-6-4-3-5-7-18)13-24-22(29)21-12-20(25-26-21)16-8-10-17(23)11-9-16/h3-12H,13H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyRJCGRDXUJXLUGQ-UHFFFAOYSA-N
XLogP3.95
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531491
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47916064
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513852
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105907
2-(ethylamino)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidine-5-carboxamide
CID 72856313
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 46969103
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
3-[(2,4-difluorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282537

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 19514464) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RJCGRDXUJXLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-19(15(2)28(27-14)18-6-4-3-5-7-18)13-24-22(29)21-12-20(25-26-21)16-8-10-17(23)11-9-16/h3-12H,13H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).