3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide

C19H21N5O3 — CID 91774892

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NCCc3nc(O)cc(=O)[nH]3)c2)n1
InChIInChI=1S/C19H21N5O3/c1-12-8-13(2)24(23-12)11-14-4-3-5-15(9-14)19(27)20-7-6-16-21-17(25)10-18(26)22-16/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,27)(H2,21,22,25,26)
InChIKeyYLVRDIBBRZSAQO-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.31
Rot. Bonds6

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (PubChem CID 91774892) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
PubChem CID91774892
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NCCc3nc(O)cc(=O)[nH]3)c2)n1
InChIInChI=1S/C19H21N5O3/c1-12-8-13(2)24(23-12)11-14-4-3-5-15(9-14)19(27)20-7-6-16-21-17(25)10-18(26)22-16/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,27)(H2,21,22,25,26)
InChIKeyYLVRDIBBRZSAQO-UHFFFAOYSA-N
XLogP1.31
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292552
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119461459
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]benzamide
CID 136915025
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524002
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119456634
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
CID 56822003
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (CID 91774892) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)NCCc3nc(O)cc(=O)[nH]3)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The InChIKey is YLVRDIBBRZSAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-8-13(2)24(23-12)11-14-4-3-5-15(9-14)19(27)20-7-6-16-21-17(25)10-18(26)22-16/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,27)(H2,21,22,25,26).
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 91774892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).