N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide

C16H20N6O3 — CID 136641398

IUPACN-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide
SMILESCCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C16H20N6O3/c1-3-17-14(24)15(25)19-12-8-9(2)21-22(12)16-18-11-7-5-4-6-10(11)13(23)20-16/h8H,3-7H2,1-2H3,(H,17,24)(H,19,25)(H,18,20,23)
InChIKeyVNCJKHHGUYDWHQ-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.22
Rot. Bonds3

About N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide

N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide (PubChem CID 136641398) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide
PubChem CID136641398
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC NameN-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide
SMILESCCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C16H20N6O3/c1-3-17-14(24)15(25)19-12-8-9(2)21-22(12)16-18-11-7-5-4-6-10(11)13(23)20-16/h8H,3-7H2,1-2H3,(H,17,24)(H,19,25)(H,18,20,23)
InChIKeyVNCJKHHGUYDWHQ-UHFFFAOYSA-N
XLogP0.22
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 136641444
2-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551814
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 136641448
N-cyclohexyl-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954203
3,5-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135551827
4-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
CID 135551816
2-(4-chlorophenyl)-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551909
N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 137436427
2,5-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]furan-3-carboxamide
CID 136636545
cis-(1S,2R)-2-[[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135551948
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-4-nitrobenzamide
CID 135551873
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 135551878

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide?
The IUPAC name of N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide (CID 136641398) is N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide is CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide?
The InChIKey is VNCJKHHGUYDWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-3-17-14(24)15(25)19-12-8-9(2)21-22(12)16-18-11-7-5-4-6-10(11)13(23)20-16/h8H,3-7H2,1-2H3,(H,17,24)(H,19,25)(H,18,20,23).
What are the key properties of N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide?
N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide has a molecular weight of 344.38 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 136641398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).