4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

C23H21N5O — CID 39259977

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4ccnc(C)n4)c3)cc2)n1
InChIInChI=1S/C23H21N5O/c1-15-13-16(2)28(27-15)21-9-7-18(8-10-21)23(29)26-20-6-4-5-19(14-20)22-11-12-24-17(3)25-22/h4-14H,1-3H3,(H,26,29)
InChIKeyJPFSRFFYGVRCIJ-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.51
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide (PubChem CID 39259977) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
PubChem CID39259977
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4ccnc(C)n4)c3)cc2)n1
InChIInChI=1S/C23H21N5O/c1-15-13-16(2)28(27-15)21-9-7-18(8-10-21)23(29)26-20-6-4-5-19(14-20)22-11-12-24-17(3)25-22/h4-14H,1-3H3,(H,26,29)
InChIKeyJPFSRFFYGVRCIJ-UHFFFAOYSA-N
XLogP4.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39028264
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248
4-tert-butyl-N-[3-[3-(2-methylpyrimidin-4-yl)anilino]-3-oxopropyl]benzamide
CID 39028780
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259896
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide (CID 39259977) is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4ccnc(C)n4)c3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The InChIKey is JPFSRFFYGVRCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-13-16(2)28(27-15)21-9-7-18(8-10-21)23(29)26-20-6-4-5-19(14-20)22-11-12-24-17(3)25-22/h4-14H,1-3H3,(H,26,29).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide has a molecular weight of 383.46 g/mol, XLogP of 4.51, 4 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-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 39259977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).