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

C23H21N5O2 — CID 135625119

IUPAC3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-27(14-21-24-18-10-6-5-9-17(18)22(29)25-21)23(30)20-13-19(15-11-12-15)26-28(20)16-7-3-2-4-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,25,29)
InChIKeyXRZJAZLGYAEHOX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.26
Rot. Bonds5

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

3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 135625119) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
PubChem CID135625119
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-27(14-21-24-18-10-6-5-9-17(18)22(29)25-21)23(30)20-13-19(15-11-12-15)26-28(20)16-7-3-2-4-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,25,29)
InChIKeyXRZJAZLGYAEHOX-UHFFFAOYSA-N
XLogP3.26
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
CID 9205925
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CID 5015294
N-cyclohexyl-5-cyclopropyl-2-phenylpyrazole-3-carboxamide
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3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 9462634
2-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 16302479
3-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861281
4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-(4-methylbenzyl)butanamide
CID 16034774
3-(3-Benzoyl-3-azabicyclo[3.1.0]hexane-6-carboxamido)methyl-5-isobutyl-1-phenyl-1H-pyrazole
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1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide
CID 138393395
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 9291764
3-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(4-ethylphenyl)methyl]propanamide
CID 16022532
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-(3-phenylpropyl)propanamide
CID 20919686

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide (CID 135625119) is 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is XRZJAZLGYAEHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-27(14-21-24-18-10-6-5-9-17(18)22(29)25-21)23(30)20-13-19(15-11-12-15)26-28(20)16-7-3-2-4-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,25,29).
What are the key properties of 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 135625119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).