2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide

C19H20N6O — CID 53189946

IUPAC2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cnn(-c2ncncc2N2CCCC2)c1
InChIInChI=1S/C19H20N6O/c1-14-6-2-3-7-16(14)19(26)23-15-10-22-25(12-15)18-17(11-20-13-21-18)24-8-4-5-9-24/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,23,26)
InChIKeyBBLMRCHHRDMDPL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide

2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide (PubChem CID 53189946) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
PubChem CID53189946
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cnn(-c2ncncc2N2CCCC2)c1
InChIInChI=1S/C19H20N6O/c1-14-6-2-3-7-16(14)19(26)23-15-10-22-25(12-15)18-17(11-20-13-21-18)24-8-4-5-9-24/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,23,26)
InChIKeyBBLMRCHHRDMDPL-UHFFFAOYSA-N
XLogP2.82
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 53190062
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
N-[1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazol-4-yl]furan-2-carboxamide
CID 53189955
4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
CID 53190016
1-(3-chlorophenyl)-3-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]urea
CID 53190108
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
2-chloro-5-methylsulfanyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzamide
CID 53167948
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide (CID 53189946) is 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide is Cc1ccccc1C(=O)Nc1cnn(-c2ncncc2N2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is BBLMRCHHRDMDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14-6-2-3-7-16(14)19(26)23-15-10-22-25(12-15)18-17(11-20-13-21-18)24-8-4-5-9-24/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide?
2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 53189946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).