N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

C27H23N5O2 — CID 135876239

IUPACN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O2/c1-2-31(18-24-28-23-16-10-9-15-21(23)26(33)29-24)27(34)22-17-32(20-13-7-4-8-14-20)30-25(22)19-11-5-3-6-12-19/h3-17H,2,18H2,1H3,(H,28,29,33)
InChIKeyAGJUYAXNKRQNOP-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.44
Rot. Bonds6

About N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 135876239) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID135876239
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC NameN-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O2/c1-2-31(18-24-28-23-16-10-9-15-21(23)26(33)29-24)27(34)22-17-32(20-13-7-4-8-14-20)30-25(22)19-11-5-3-6-12-19/h3-17H,2,18H2,1H3,(H,28,29,33)
InChIKeyAGJUYAXNKRQNOP-UHFFFAOYSA-N
XLogP4.44
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
N-ethyl-1,3,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazole-4-carboxamide
CID 137282497
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-ethyl-3-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135848570
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
5-bromo-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135893606
N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 137281094
N,5-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135896382
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide (CID 135876239) is N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is AGJUYAXNKRQNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-2-31(18-24-28-23-16-10-9-15-21(23)26(33)29-24)27(34)22-17-32(20-13-7-4-8-14-20)30-25(22)19-11-5-3-6-12-19/h3-17H,2,18H2,1H3,(H,28,29,33).
What are the key properties of N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide?
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 135876239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).