2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide

C18H25N5O2 — CID 18572122

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-n2nc(C)cc2C)nc2c(c1=O)CCCC2
InChIInChI=1S/C18H25N5O2/c1-4-9-19-16(24)11-22-17(25)14-7-5-6-8-15(14)20-18(22)23-13(3)10-12(2)21-23/h10H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyOTKSPNPKYUGFSK-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.45
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide (PubChem CID 18572122) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide
PubChem CID18572122
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-n2nc(C)cc2C)nc2c(c1=O)CCCC2
InChIInChI=1S/C18H25N5O2/c1-4-9-19-16(24)11-22-17(25)14-7-5-6-8-15(14)20-18(22)23-13(3)10-12(2)21-23/h10H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyOTKSPNPKYUGFSK-UHFFFAOYSA-N
XLogP1.45
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]-N-methylacetamide
CID 41107128
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 18572095
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide
CID 18572093
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 41106928
N-(2,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 41107024
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetyl]amino]benzoate
CID 18572112
ethyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 41107069
N-(5-chloro-2-methoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 41107154
3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 44907178
2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7386744
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]acetate
CID 27656460
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22586479

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide (CID 18572122) is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide is CCCNC(=O)Cn1c(-n2nc(C)cc2C)nc2c(c1=O)CCCC2.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide?
The InChIKey is OTKSPNPKYUGFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-9-19-16(24)11-22-17(25)14-7-5-6-8-15(14)20-18(22)23-13(3)10-12(2)21-23/h10H,4-9,11H2,1-3H3,(H,19,24).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide has a molecular weight of 343.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide is sourced from PubChem (CID 18572122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).