N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide

C20H17N5OS — CID 122300522

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3ccc(-c4cccs4)cc3)cn2)n1
InChIInChI=1S/C20H17N5OS/c1-13-10-14(2)25(24-13)20-21-11-17(12-22-20)23-19(26)16-7-5-15(6-8-16)18-4-3-9-27-18/h3-12H,1-2H3,(H,23,26)
InChIKeyBPGOYTHKKKRNFP-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.26
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide (PubChem CID 122300522) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
PubChem CID122300522
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3ccc(-c4cccs4)cc3)cn2)n1
InChIInChI=1S/C20H17N5OS/c1-13-10-14(2)25(24-13)20-21-11-17(12-22-20)23-19(26)16-7-5-15(6-8-16)18-4-3-9-27-18/h3-12H,1-2H3,(H,23,26)
InChIKeyBPGOYTHKKKRNFP-UHFFFAOYSA-N
XLogP4.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxypyridine-4-carboxamide
CID 122300568
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122322025
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
CID 71789814
N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide
CID 68907909
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide (CID 122300522) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide is Cc1cc(C)n(-c2ncc(NC(=O)c3ccc(-c4cccs4)cc3)cn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide?
The InChIKey is BPGOYTHKKKRNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-13-10-14(2)25(24-13)20-21-11-17(12-22-20)23-19(26)16-7-5-15(6-8-16)18-4-3-9-27-18/h3-12H,1-2H3,(H,23,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide has a molecular weight of 375.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 122300522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).