N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide

C19H23N5O2 — CID 119070947

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C(C)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H23N5O2/c1-12-15(13(2)22-21-12)9-10-23(4)18(25)14(3)24-11-20-17-8-6-5-7-16(17)19(24)26/h5-8,11,14H,9-10H2,1-4H3,(H,21,22)
InChIKeyZYEGGYBQOATRTQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 119070947) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID119070947
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)C(C)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H23N5O2/c1-12-15(13(2)22-21-12)9-10-23(4)18(25)14(3)24-11-20-17-8-6-5-7-16(17)19(24)26/h5-8,11,14H,9-10H2,1-4H3,(H,21,22)
InChIKeyZYEGGYBQOATRTQ-UHFFFAOYSA-N
XLogP2.00
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide (CID 119070947) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide is Cc1n[nH]c(C)c1CCN(C)C(=O)C(C)n1cnc2ccccc2c1=O.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ZYEGGYBQOATRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-15(13(2)22-21-12)9-10-23(4)18(25)14(3)24-11-20-17-8-6-5-7-16(17)19(24)26/h5-8,11,14H,9-10H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 353.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 119070947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).