3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide

C24H23N5O2 — CID 135625118

IUPAC3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-2-28(15-22-25-19-11-7-6-10-18(19)23(30)26-22)24(31)21-14-20(16-12-13-16)27-29(21)17-8-4-3-5-9-17/h3-11,14,16H,2,12-13,15H2,1H3,(H,25,26,30)
InChIKeyVSEGTMVUKUPRRH-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.65
Rot. Bonds6

About 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 135625118) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
PubChem CID135625118
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-2-28(15-22-25-19-11-7-6-10-18(19)23(30)26-22)24(31)21-14-20(16-12-13-16)27-29(21)17-8-4-3-5-9-17/h3-11,14,16H,2,12-13,15H2,1H3,(H,25,26,30)
InChIKeyVSEGTMVUKUPRRH-UHFFFAOYSA-N
XLogP3.65
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide (CID 135625118) is 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is VSEGTMVUKUPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-2-28(15-22-25-19-11-7-6-10-18(19)23(30)26-22)24(31)21-14-20(16-12-13-16)27-29(21)17-8-4-3-5-9-17/h3-11,14,16H,2,12-13,15H2,1H3,(H,25,26,30).
What are the key properties of 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 135625118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).