N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C21H19N5O — CID 56882809

IUPACN-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H19N5O/c1-25(15-16-3-9-19(10-4-16)26-14-2-12-23-26)21(27)18-7-5-17(6-8-18)20-11-13-22-24-20/h2-14H,15H2,1H3,(H,22,24)
InChIKeyHOLOEQHSVKHLAL-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.53
Rot. Bonds5

About N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 56882809) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID56882809
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H19N5O/c1-25(15-16-3-9-19(10-4-16)26-14-2-12-23-26)21(27)18-7-5-17(6-8-18)20-11-13-22-24-20/h2-14H,15H2,1H3,(H,22,24)
InChIKeyHOLOEQHSVKHLAL-UHFFFAOYSA-N
XLogP3.53
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
3-(3,4-dichlorophenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 19515586
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
(9R)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125165463
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 19277952

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 56882809) is N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is HOLOEQHSVKHLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-25(15-16-3-9-19(10-4-16)26-14-2-12-23-26)21(27)18-7-5-17(6-8-18)20-11-13-22-24-20/h2-14H,15H2,1H3,(H,22,24).
What are the key properties of N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 357.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 56882809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).