4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C23H23N5O — CID 41412823

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCc3ccc(-n4cccn4)cc3)cc2)n1
InChIInChI=1S/C23H23N5O/c1-17-16-18(2)28(26-17)22-10-6-20(7-11-22)23(29)24-14-12-19-4-8-21(9-5-19)27-15-3-13-25-27/h3-11,13,15-16H,12,14H2,1-2H3,(H,24,29)
InChIKeyMHQUPSBFKIYRSI-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.65
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 41412823) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID41412823
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCc3ccc(-n4cccn4)cc3)cc2)n1
InChIInChI=1S/C23H23N5O/c1-17-16-18(2)28(26-17)22-10-6-20(7-11-22)23(29)24-14-12-19-4-8-21(9-5-19)27-15-3-13-25-27/h3-11,13,15-16H,12,14H2,1-2H3,(H,24,29)
InChIKeyMHQUPSBFKIYRSI-UHFFFAOYSA-N
XLogP3.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
(4-pyrazol-1-ylphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 27831699
4-methyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412921
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 38076438
5,7-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43058930
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
2-(difluoromethyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 56561065
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]benzamide
CID 167947657

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 41412823) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCCc3ccc(-n4cccn4)cc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is MHQUPSBFKIYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-16-18(2)28(26-17)22-10-6-20(7-11-22)23(29)24-14-12-19-4-8-21(9-5-19)27-15-3-13-25-27/h3-11,13,15-16H,12,14H2,1-2H3,(H,24,29).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 41412823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).