N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C19H21N5O2 — CID 134711510

IUPACN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccccc3c2=O)n(C(C)C2CC2)n1
InChIInChI=1S/C19H21N5O2/c1-12-9-17(24(22-12)13(2)14-7-8-14)21-18(25)10-23-11-20-16-6-4-3-5-15(16)19(23)26/h3-6,9,11,13-14H,7-8,10H2,1-2H3,(H,21,25)
InChIKeyILQJBXGDHYBSDY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 134711510) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID134711510
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccccc3c2=O)n(C(C)C2CC2)n1
InChIInChI=1S/C19H21N5O2/c1-12-9-17(24(22-12)13(2)14-7-8-14)21-18(25)10-23-11-20-16-6-4-3-5-15(16)19(23)26/h3-6,9,11,13-14H,7-8,10H2,1-2H3,(H,21,25)
InChIKeyILQJBXGDHYBSDY-UHFFFAOYSA-N
XLogP2.51
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 134711510) is N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3ccccc3c2=O)n(C(C)C2CC2)n1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ILQJBXGDHYBSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-9-17(24(22-12)13(2)14-7-8-14)21-18(25)10-23-11-20-16-6-4-3-5-15(16)19(23)26/h3-6,9,11,13-14H,7-8,10H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 134711510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).