2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide

C17H19N5O2 — CID 137196556

IUPAC2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-12(11-22-10-4-8-19-22)16(23)18-9-7-15-20-14-6-3-2-5-13(14)17(24)21-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,18,23)(H,20,21,24)
InChIKeyYQKOVCTVZMKCRY-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.11
Rot. Bonds6

About 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide

2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 137196556) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID137196556
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-12(11-22-10-4-8-19-22)16(23)18-9-7-15-20-14-6-3-2-5-13(14)17(24)21-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,18,23)(H,20,21,24)
InChIKeyYQKOVCTVZMKCRY-UHFFFAOYSA-N
XLogP1.11
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(pyrazol-1-ylmethyl)benzamide
CID 137309163
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 135667533
(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide
CID 164640614
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136822789
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
CID 94026684
(2S)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 99931768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide (CID 137196556) is 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide is CC(Cn1cccn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is YQKOVCTVZMKCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(11-22-10-4-8-19-22)16(23)18-9-7-15-20-14-6-3-2-5-13(14)17(24)21-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,18,23)(H,20,21,24).
What are the key properties of 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide?
2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 325.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 137196556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).