N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide

C25H27N5O — CID 47047950

IUPACN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)C(C)n2ccnc2)cc1C
InChIInChI=1S/C25H27N5O/c1-18-10-11-21(14-19(18)2)24-22(16-30(27-24)23-8-6-5-7-9-23)15-28(4)25(31)20(3)29-13-12-26-17-29/h5-14,16-17,20H,15H2,1-4H3
InChIKeyPKPSVAMFLSGJIO-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.57
Rot. Bonds6

About N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide

N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide (PubChem CID 47047950) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide
PubChem CID47047950
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)C(C)n2ccnc2)cc1C
InChIInChI=1S/C25H27N5O/c1-18-10-11-21(14-19(18)2)24-22(16-30(27-24)23-8-6-5-7-9-23)15-28(4)25(31)20(3)29-13-12-26-17-29/h5-14,16-17,20H,15H2,1-4H3
InChIKeyPKPSVAMFLSGJIO-UHFFFAOYSA-N
XLogP4.57
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
CID 119696316
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide
CID 32688509
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048588
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 41277650
2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]acetic acid
CID 34881763
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 126447800
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide
CID 43007655
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-(2-methylpropyl)urea
CID 122160112

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide?
The IUPAC name of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide (CID 47047950) is N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide is Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)C(C)n2ccnc2)cc1C.
What is the InChIKey of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide?
The InChIKey is PKPSVAMFLSGJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-18-10-11-21(14-19(18)2)24-22(16-30(27-24)23-8-6-5-7-9-23)15-28(4)25(31)20(3)29-13-12-26-17-29/h5-14,16-17,20H,15H2,1-4H3.
What are the key properties of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide?
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide has a molecular weight of 413.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide is sourced from PubChem (CID 47047950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).