3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide

C14H13N5O2 — CID 47083211

IUPAC3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccn[nH]1
InChIInChI=1S/C14H13N5O2/c20-13(17-12-5-7-16-18-12)6-8-19-9-15-11-4-2-1-3-10(11)14(19)21/h1-5,7,9H,6,8H2,(H2,16,17,18,20)
InChIKeyAOWXEMRIMCJXCS-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.15
Rot. Bonds4

About 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide

3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 47083211) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
PubChem CID47083211
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccn[nH]1
InChIInChI=1S/C14H13N5O2/c20-13(17-12-5-7-16-18-12)6-8-19-9-15-11-4-2-1-3-10(11)14(19)21/h1-5,7,9H,6,8H2,(H2,16,17,18,20)
InChIKeyAOWXEMRIMCJXCS-UHFFFAOYSA-N
XLogP1.15
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916047
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide (CID 47083211) is 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccn[nH]1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is AOWXEMRIMCJXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-13(17-12-5-7-16-18-12)6-8-19-9-15-11-4-2-1-3-10(11)14(19)21/h1-5,7,9H,6,8H2,(H2,16,17,18,20).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 47083211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).